1380 lines
85 KiB
HTML
1380 lines
85 KiB
HTML
<!DOCTYPE html>
|
||
<html class="writer-html5" lang="en" >
|
||
<head>
|
||
<meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
|
||
|
||
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
|
||
<title>Bibliography — LAMMPS documentation</title>
|
||
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
|
||
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
|
||
<link rel="stylesheet" href="_static/sphinx-design.min.css" type="text/css" />
|
||
<link rel="stylesheet" href="_static/css/lammps.css" type="text/css" />
|
||
<link rel="shortcut icon" href="_static/lammps.ico"/>
|
||
<link rel="canonical" href="https://docs.lammps.org/Bibliography.html" />
|
||
<!--[if lt IE 9]>
|
||
<script src="_static/js/html5shiv.min.js"></script>
|
||
<![endif]-->
|
||
|
||
<script src="_static/jquery.js?v=5d32c60e"></script>
|
||
<script src="_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
|
||
<script src="_static/documentation_options.js?v=5929fcd5"></script>
|
||
<script src="_static/doctools.js?v=9bcbadda"></script>
|
||
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
|
||
<script src="_static/design-tabs.js?v=f930bc37"></script>
|
||
<script async="async" src="_static/mathjax/es5/tex-mml-chtml.js?v=cadf963e"></script>
|
||
<script src="_static/js/theme.js"></script>
|
||
<link rel="index" title="Index" href="genindex.html" />
|
||
<link rel="search" title="Search" href="search.html" />
|
||
<link rel="prev" title="fix_modify AtC write_restart command" href="atc_write_restart.html" />
|
||
</head>
|
||
|
||
<body class="wy-body-for-nav">
|
||
<div class="wy-grid-for-nav">
|
||
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
|
||
<div class="wy-side-scroll">
|
||
<div class="wy-side-nav-search" >
|
||
|
||
|
||
|
||
<a href="Manual.html">
|
||
|
||
<img src="_static/lammps-logo.png" class="logo" alt="Logo"/>
|
||
</a>
|
||
<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
|
||
<div class="lammps_release">git info: </div>
|
||
<div role="search">
|
||
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
|
||
<input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
|
||
<input type="hidden" name="check_keywords" value="yes" />
|
||
<input type="hidden" name="area" value="default" />
|
||
</form>
|
||
</div>
|
||
</div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
|
||
<p class="caption" role="heading"><span class="caption-text">User Guide</span></p>
|
||
<ul>
|
||
<li class="toctree-l1"><a class="reference internal" href="Intro.html">1. Introduction</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Install.html">2. Install LAMMPS</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Build.html">3. Build LAMMPS</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Run_head.html">4. Run LAMMPS</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Commands.html">5. Commands</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Packages.html">6. Optional packages</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Speed.html">7. Accelerate performance</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Howto.html">8. Howto discussions</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Examples.html">9. Example scripts</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Tools.html">10. Auxiliary tools</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Errors.html">11. Errors</a></li>
|
||
</ul>
|
||
<p class="caption" role="heading"><span class="caption-text">Programmer Guide</span></p>
|
||
<ul>
|
||
<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying & extending LAMMPS</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Developer.html">4. Information for Developers</a></li>
|
||
</ul>
|
||
<p class="caption" role="heading"><span class="caption-text">Command Reference</span></p>
|
||
<ul class="current">
|
||
<li class="toctree-l1"><a class="reference internal" href="commands_list.html">Commands</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fix Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="dumps.html">Dump Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</a></li>
|
||
<li class="toctree-l1 current"><a class="current reference internal" href="#">Bibliography</a></li>
|
||
</ul>
|
||
|
||
</div>
|
||
</div>
|
||
</nav>
|
||
|
||
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap"><nav class="wy-nav-top" aria-label="Mobile navigation menu" >
|
||
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
|
||
<a href="Manual.html">LAMMPS</a>
|
||
</nav>
|
||
|
||
<div class="wy-nav-content">
|
||
<div class="rst-content style-external-links">
|
||
<div role="navigation" aria-label="Page navigation">
|
||
<ul class="wy-breadcrumbs">
|
||
<li><a href="Manual.html" class="icon icon-home" aria-label="Home"></a></li>
|
||
<li class="breadcrumb-item active">Bibliography</li>
|
||
<li class="wy-breadcrumbs-aside">
|
||
<a href="https://www.lammps.org"><img src="_static/lammps-logo.png" width="64" height="16" alt="LAMMPS Homepage"></a> | <a href="Commands_all.html">Commands</a>
|
||
</li>
|
||
</ul><div class="rst-breadcrumbs-buttons" role="navigation" aria-label="Sequential page navigation">
|
||
<a href="atc_write_restart.html" class="btn btn-neutral float-left" title="fix_modify AtC write_restart command" accesskey="p"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
|
||
</div>
|
||
<hr/>
|
||
</div>
|
||
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
||
<div itemprop="articleBody">
|
||
|
||
<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
|
||
<section id="bibliography">
|
||
<h1>Bibliography<a class="headerlink" href="#bibliography" title="Link to this heading"></a></h1>
|
||
<dl class="simple">
|
||
<dt><strong>(Abascal1)</strong></dt><dd><p>Abascal, Sanz, Fernandez, Vega, J Chem Phys, 122, 234511 (2005)</p>
|
||
</dd>
|
||
<dt><strong>(Abascal2)</strong></dt><dd><p>Abascal, J Chem Phys, 123, 234505 (2005)</p>
|
||
</dd>
|
||
<dt><strong>(Ackland)</strong></dt><dd><p>Ackland, Jones, Phys Rev B, 73, 054104 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Ackland1)</strong></dt><dd><p>Ackland, Condensed Matter (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Ackland2)</strong></dt><dd><p>Ackland, Mendelev, Srolovitz, Han and Barashev, Journal of Physics: Condensed Matter, 16, S2629 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Addington)</strong></dt><dd><p>Addington, Long, Gubbins, J Chem Phys, 149, 084109 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Adhikari et al.)</strong></dt><dd><p>Adhikari, R., Stratford, K., Cates, M. E., and Wagner, A. J., Fluctuating lattice Boltzmann, Europhys. Lett. 71 (2005) 473-479.</p>
|
||
</dd>
|
||
<dt><strong>(Afshar)</strong></dt><dd><p>Afshar, F. Schmid, A. Pishevar, S. Worley, Comput Phys Comm, 184, 1119-1128 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Agnolin and Roux 2007)</strong></dt><dd><p>Agnolin, I. & Roux, J-N. (2007). Internal states of model isotropic granular packings. I. Assembling process, geometry, and contact networks. Phys. Rev. E, 76, 061302.</p>
|
||
</dd>
|
||
<dt><strong>(Ahrens-Iwers2022)</strong></dt><dd><p>Ahrens-Iwers <em>et al.</em>, J. Chem. Phys. 157, 084801 (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Ahrens-Iwers)</strong></dt><dd><p>Ahrens-Iwers and Meissner, J. Chem. Phys. 155, 104104 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(Aktulga)</strong></dt><dd><p>Aktulga, Fogarty, Pandit, Grama, Parallel Computing, 38, 245-259 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Albe)</strong></dt><dd><p>J. Nord, K. Albe, P. Erhart, and K. Nordlund, J. Phys.: Condens. Matter, 15, 5649(2003).</p>
|
||
</dd>
|
||
<dt><strong>(Albe1)</strong></dt><dd><p>K. Albe, K. Nordlund, J. Nord, and A. Kuronen, Phys. Rev. B, 66, 035205 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Allen)</strong></dt><dd><p>Allen and Germano, Mol Phys 104, 3225-3235 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(AllenTildesley)</strong></dt><dd><p>Allen and Tildesley, Computer Simulation of Liquids, Oxford University Press (1987)</p>
|
||
</dd>
|
||
<dt><strong>(Allinger)</strong></dt><dd><p>Allinger, Yuh, Lii, JACS, 111(23), 8551-8566 (1989),</p>
|
||
</dd>
|
||
<dt><strong>(Andersen)</strong></dt><dd><p>H. Andersen, J of Comp Phys, 52, 24-34 (1983).</p>
|
||
</dd>
|
||
<dt><strong>(Anderson)</strong></dt><dd><p>Anderson, Mukherjee, Critchley, Ziegler, and Lipton “POEMS: Parallelizable Open-source Efficient Multibody Software “, Engineering With Computers (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Appshaw)</strong></dt><dd><p>Appshaw, Seddon, Hanna, Soft. Matter,18, 1747(2022).</p>
|
||
</dd>
|
||
<dt><strong>(Avendano)</strong></dt><dd><p>C. Avendano, T. Lafitte, A. Galindo, C. S. Adjiman, G. Jackson, E. Muller, J Phys Chem B, 115, 11154 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Axilrod)</strong></dt><dd><p>Axilrod and Teller, J Chem Phys, 11, 299 (1943); Muto, Nippon Sugaku-Buturigakkwaishi 17, 629 (1943).</p>
|
||
</dd>
|
||
<dt><strong>(Babadi)</strong></dt><dd><p>Babadi, Ejtehadi, Everaers, J Comp Phys, 219, 770-779 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Babadi2)</strong></dt><dd><p>Babadi and Ejtehadi, EPL, 77 (2007) 23002.</p>
|
||
</dd>
|
||
<dt><strong>(Baczewski)</strong></dt><dd><p>A.D. Baczewski and S.D. Bond, J. Chem. Phys. 139, 044107 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Bal)</strong></dt><dd><p>K. M Bal and E. C. Neyts, J. Chem. Phys. 141, 204104 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Ball)</strong></dt><dd><p>Ball and Melrose, Physica A, 247, 444-472 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Ballenegger)</strong></dt><dd><p>Ballenegger, Arnold, Cerda, J Chem Phys, 131, 094107 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Barrat)</strong></dt><dd><p>Barrat and Rodney, J. Stat. Phys, 144, 679 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Barrett)</strong></dt><dd><p>Barrett, Tschopp, El Kadiri, Scripta Mat. 66, p.666 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Barros)</strong></dt><dd><p>Barros, Sinkovits, Luijten, J. Chem. Phys, 140, 064903 (2014)</p>
|
||
</dd>
|
||
<dt><strong>(Bartok)</strong></dt><dd><p>Bartok, Payne, Risi, Csanyi, Phys Rev Lett, 104, 136403 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Bartok2010)</strong></dt><dd><p>Bartok, Payne, Risi, Csanyi, Phys Rev Lett, 104, 136403 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Bartok2013)</strong></dt><dd><p>Bartok, Kondor, Csanyi, Phys Rev B, 87, 184115 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Bartok_PhD)</strong></dt><dd><p>A Bartok-Partay, PhD Thesis, University of Cambridge, (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Baskes)</strong></dt><dd><p>Baskes, Phys Rev B, 46, 2727-2742 (1992).</p>
|
||
</dd>
|
||
<dt><strong>(Baskes2)</strong></dt><dd><p>Baskes, Phys Rev B, 75, 094113 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Beck)</strong></dt><dd><p>Beck, Molecular Physics, 14, 311 (1968).</p>
|
||
</dd>
|
||
<dt><strong>(Becton)</strong></dt><dd><p>Becton, Averett, Wang, Biomech. Model. Mechanobiology, 18, 425-433(2019).</p>
|
||
</dd>
|
||
<dt><strong>(Behler and Parrinello 2007)</strong></dt><dd><p>Behler, J.; Parrinello, M. Phys. Rev. Lett. 2007, 98 (14), 146401.</p>
|
||
</dd>
|
||
<dt><strong>(Bennet)</strong></dt><dd><p>Bennet, J Comput Phys, 22, 245 (1976)</p>
|
||
</dd>
|
||
<dt><strong>(Berardi)</strong></dt><dd><p>Berardi, Fava, Zannoni, Chem Phys Lett, 297, 8-14 (1998). Berardi, Muccioli, Zannoni, J Chem Phys, 128, 024905 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Berendsen)</strong></dt><dd><p>Berendsen, Postma, van Gunsteren, DiNola, Haak, J Chem Phys, 81, 3684 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(Berendsen2)</strong></dt><dd><p>Berendsen, Grigera, Straatsma, J Phys Chem, 91, 6269-6271 (1987).</p>
|
||
</dd>
|
||
<dt><strong>(Bessarab)</strong></dt><dd><p>Bessarab, Uzdin, Jonsson, Comp Phys Comm, 196, 335-347 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Beutler)</strong></dt><dd><p>Beutler, Mark, van Schaik, Gerber, van Gunsteren, Chem Phys Lett, 222, 529 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Bird)</strong></dt><dd><p>G. A. Bird, “Molecular Gas Dynamics and the Direct Simulation of Gas Flows” (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Bitzek)</strong></dt><dd><p>Bitzek, Koskinen, Gahler, Moseler, Gumbsch, Phys Rev Lett, 97, 170201 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Bolintineanu1)</strong></dt><dd><p>Bolintineanu, Lechman, Plimpton, Grest, Phys Rev E, 86, 066703 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Bolintineanu2)</strong></dt><dd><p>Bolintineanu, Grest, Lechman, Pierce, Plimpton, Schunk, Comp Particle Mechanics, 1, 321-356 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Bomont)</strong></dt><dd><p>Bomont, Bretonnet, J. Chem. Phys. 124, 054504 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Bond)</strong></dt><dd><p>Bond and Leimkuhler, SIAM J Sci Comput, 30, p 134 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Boone)</strong></dt><dd><p>Boone, Babaei, Wilmer, J Chem Theory Comput, 15, 5579–5587 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(BoreschKarplus)</strong></dt><dd><p>Boresch and Karplus, J Phys Chem A, 103, 103 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Botu1)</strong></dt><dd><p>V. Botu and R. Ramprasad, Int. J. Quant. Chem., 115(16), 1074 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Botu2)</strong></dt><dd><p>V. Botu and R. Ramprasad, Phys. Rev. B, 92(9), 094306 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Botu3)</strong></dt><dd><p>V. Botu, R. Batra, J. Chapman and R. Ramprasad, <a class="reference external" href="https://arxiv.org/abs/1610.02098">https://arxiv.org/abs/1610.02098</a> (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Branicio2009)</strong></dt><dd><p>Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002</p>
|
||
</dd>
|
||
<dt><strong>(Brennan)</strong></dt><dd><p>Brennan, J Chem Phys Lett, 5, 2144-2149 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Brenner)</strong></dt><dd><p>Brenner, Shenderova, Harrison, Stuart, Ni, Sinnott, J Physics: Condensed Matter, 14, 783-802 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Brilliantov)</strong></dt><dd><p>Brilliantov, Spahn, Hertzsch, Poschel, Phys Rev E, 53, p 5382-5392 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Brooks)</strong></dt><dd><p>Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Brooks)</strong></dt><dd><p>Brooks, et al, J Comput Chem, 30, 1545 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Brown)</strong></dt><dd><p>Brown et al. International Tables for Crystallography Volume C: Mathematical and Chemical Tables, 554-95 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Buck)</strong></dt><dd><p>Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Bulacu)</strong></dt><dd><p>Bulacu, Goga, Zhao, Rossi, Monticelli, Periole, Tieleman, Marrink, J Chem Theory Comput, 9, 3282-3292</p>
|
||
</dd>
|
||
<dt><strong>(Bussi)</strong></dt><dd><ol class="upperalpha simple" start="7">
|
||
<li><p>Bussi, T. Zykova-Timan, M. Parrinello, J Chem Phys, 130, 074101 (2009).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Bussi1)</strong></dt><dd><p>Bussi, Donadio and Parrinello, J. Chem. Phys. 126, 014101(2007)</p>
|
||
</dd>
|
||
<dt><strong>(Bussi2)</strong></dt><dd><p>Bussi and Parrinello, Phys. Rev. E 75, 056707 (2007)</p>
|
||
</dd>
|
||
<dt><strong>(COMB_1)</strong></dt><dd><p>J. Yu, S. B. Sinnott, S. R. Phillpot, Phys Rev B, 75, 085311 (2007),</p>
|
||
</dd>
|
||
<dt><strong>(COMB_2)</strong></dt><dd><p>T.-R. Shan, B. D. Devine, T. W. Kemper, S. B. Sinnott, and S. R. Phillpot, Phys. Rev. B 81, 125328 (2010)</p>
|
||
</dd>
|
||
<dt><strong>(COMB3)</strong></dt><dd><p>T. Liang, T.-R. Shan, Y.-T. Cheng, B. D. Devine, M. Noordhoek, Y. Li, Z. Lu, S. R. Phillpot, and S. B. Sinnott, Mat. Sci. & Eng: R 74, 255-279 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Calhoun)</strong></dt><dd><p>A. Calhoun, M. Pavese, G. Voth, Chem Phys Letters, 262, 415 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Campana)</strong></dt><dd><p>C. Campana and M. H. Muser, Phys. Rev. B [74], 075420 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Cao1)</strong></dt><dd><p>J. Cao and B. Berne, J Chem Phys, 99, 2902 (1993).</p>
|
||
</dd>
|
||
<dt><strong>(Cao2)</strong></dt><dd><p>J. Cao and G. Voth, J Chem Phys, 100, 5093 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Caro)</strong></dt><dd><p>A Caro, DA Crowson, M Caro; Phys Rev Lett, 95, 075702 (2005)</p>
|
||
</dd>
|
||
<dt><strong>(CasP)</strong></dt><dd><p>CasP webpage: <a class="reference external" href="http://www.casp-program.org/">http://www.casp-program.org/</a></p>
|
||
</dd>
|
||
<dt><strong>(Cawkwell2012)</strong></dt><dd><p>A. M. N. Niklasson, M. J. Cawkwell, Phys. Rev. B, 86 (17), 174308 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Cercignani)</strong></dt><dd><p>C. Cercignani and M. Lampis. Trans. Theory Stat. Phys. 1, 2, 101 (1971).</p>
|
||
</dd>
|
||
<dt><strong>(Cerda)</strong></dt><dd><p>Cerda, Ballenegger, Lenz, Holm, J Chem Phys 129, 234104 (2008)</p>
|
||
</dd>
|
||
<dt><strong>(Ceriotti)</strong></dt><dd><ol class="upperalpha simple" start="13">
|
||
<li><p>Ceriotti, M. Parrinello, T. Markland, D. Manolopoulos, J. Chem. Phys. 133, 124104 (2010).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Ceriotti1)</strong></dt><dd><p>Ceriotti, Bussi and Parrinello, J Chem Theory Comput 6, 1170-80 (2010)</p>
|
||
</dd>
|
||
<dt><strong>(Ceriotti2)</strong></dt><dd><p>Ceriotti, Bussi and Parrinello, Phys Rev Lett 103, 030603 (2009)</p>
|
||
</dd>
|
||
<dt><strong>(Cerutti)</strong></dt><dd><p>Cerutti, Duke, Darden, Lybrand, Journal of Chemical Theory and Computation 5, 2322 (2009)</p>
|
||
</dd>
|
||
<dt><strong>(Chen)</strong></dt><dd><p>J Chen, D Tzou and J Beraun, Int. J. Heat Mass Transfer, 49, 307-316 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Chenoweth_2008)</strong></dt><dd><p>Chenoweth, van Duin and Goddard, Journal of Physical Chemistry A, 112, 1040-1053 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Clarke)</strong></dt><dd><p>Clarke and Smith, J Chem Phys, 84, 2290 (1986).</p>
|
||
</dd>
|
||
<dt><strong>(Clavier)</strong></dt><dd><ol class="upperalpha simple" start="7">
|
||
<li><p>Clavier, N. Desbiens, E. Bourasseau, V. Lachet, N. Brusselle-Dupend and B. Rousseau, Mol Sim, 43, 1413 (2017).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Clemmer)</strong></dt><dd><p>Clemmer and Robbins, Phys. Rev. Lett. (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Clemmer1)</strong></dt><dd><p>Clemmer, Monti, Lechman, Soft Matter, 20, 1702 (2024).</p>
|
||
</dd>
|
||
<dt><strong>(Clemmer2)</strong></dt><dd><p>Clemmer, Pierce, O’Connor, Nevins, Jones, Lechman, Tencer, Appl. Math. Model., 130, 310-326 (2024).</p>
|
||
</dd>
|
||
<dt><strong>(Coleman)</strong></dt><dd><p>Coleman, Spearot, Capolungo, MSMSE, 21, 055020 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Colliex)</strong></dt><dd><p>Colliex et al. International Tables for Crystallography Volume C: Mathematical and Chemical Tables, 249-429 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Cooke)</strong></dt><dd><p>“Cooke, Kremer and Deserno, Phys. Rev. E, 72, 011506 (2005)”</p>
|
||
</dd>
|
||
<dt><strong>(Cornell)</strong></dt><dd><p>Cornell, Cieplak, Bayly, Gould, Merz, Ferguson, Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Cundall, 1987)</strong></dt><dd><p>Cundall, P. A. Distinct Element Models of Rock and Soil</p>
|
||
</dd>
|
||
<dt><strong>(Curk1)</strong></dt><dd><ol class="upperalpha simple" start="20">
|
||
<li><p>Curk, J. Yuan, and E. Luijten, JCP 156 (2022).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Curk2)</strong></dt><dd><ol class="upperalpha simple" start="20">
|
||
<li><p>Curk and E. Luijten, PRL 126 (2021)</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Cusentino)</strong></dt><dd><p>Cusentino, Wood, Thompson, J Phys Chem A, 124, 5456, (2020)</p>
|
||
</dd>
|
||
<dt><strong>(Daivis and Todd)</strong></dt><dd><p>Daivis and Todd, J Chem Phys, 124, 194103 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Daivis and Todd)</strong></dt><dd><p>Daivis and Todd, Nonequilibrium Molecular Dynamics (book), Cambridge University Press, <a class="reference external" href="https://doi.org/10.1017/9781139017848">https://doi.org/10.1017/9781139017848</a>, (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Dammak)</strong></dt><dd><p>Dammak, Chalopin, Laroche, Hayoun, and Greffet, Phys Rev Lett, 103, 190601 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Darden)</strong></dt><dd><p>Darden, York, Pedersen, J Chem Phys, 98, 10089 (1993).</p>
|
||
</dd>
|
||
<dt><strong>(Davidchack)</strong></dt><dd><p>R.L Davidchack, T.E. Ouldridge, and M.V. Tretyakov. J. Chem. Phys. 142, 144114 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Daw1)</strong></dt><dd><p>Daw, Baskes, Phys Rev Lett, 50, 1285 (1983). Daw, Baskes, Phys Rev B, 29, 6443 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(Daw2)</strong></dt><dd><p>M. S. Daw, and M. I. Baskes, Phys. Rev. B, 29, 6443 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(de Buyl)</strong></dt><dd><p>de Buyl, Colberg and Hofling, Comp. Phys. Comm. 185(6), 1546-1553 (2014) -</p>
|
||
</dd>
|
||
<dt><strong>(Deissenbeck)</strong></dt><dd><p>Deissenbeck <em>et al.</em>, Phys. Rev. Letters 126, 136803 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(de Koning)</strong></dt><dd><p>de Koning and Antonelli, Phys Rev E, 53, 465 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(DeVane)</strong></dt><dd><p>Shinoda, DeVane, Klein, Soft Matter, 4, 2453-2462 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Deserno)</strong></dt><dd><p>Deserno and Holm, J Chem Phys, 109, 7694 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Destree)</strong></dt><dd><p>M. Destree, F. Laupretre, A. Lyulin, and J.-P. Ryckaert, J Chem Phys, 112, 9632 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Dickel)</strong></dt><dd><p>Dickel, Francis, and Barrett, Computational Materials Science 171 (2020): 109157.</p>
|
||
</dd>
|
||
<dt><strong>(Dietz)</strong></dt><dd><p>Dietz and Hoy, J. Chem Phys, 156, 014103 (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Dobson)</strong></dt><dd><p>Dobson, J Chem Phys, 141, 184103 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Drautz)</strong></dt><dd><p>Drautz, Phys Rev B, 99, 014104 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Duffy)</strong></dt><dd><p>D M Duffy and A M Rutherford, J. Phys.: Condens. Matter, 19, 016207-016218 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Dufils)</strong></dt><dd><p>Dufils <em>et al.</em>, Phys. Rev. Letters 123, 195501 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Dullweber)</strong></dt><dd><p>Dullweber, Leimkuhler and McLachlan, J Chem Phys, 107, 5840 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Dunn1)</strong></dt><dd><p>Dunn and Noid, J Chem Phys, 143, 243148 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Dunn2)</strong></dt><dd><p>Dunn, Lebold, DeLyser, Rudzinski, and Noid, J. Phys. Chem. B, 122, 3363 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Dunweg)</strong></dt><dd><p>Dunweg and Paul, Int J of Modern Physics C, 2, 817-27 (1991).</p>
|
||
</dd>
|
||
<dt><strong>(EcheverriRestrepo)</strong></dt><dd><p>Echeverri Restrepo, Andric, Comput Mater Sci, 218, 111978 (2023).</p>
|
||
</dd>
|
||
<dt><strong>(EDIP)</strong></dt><dd><p>J F Justo et al, Phys Rev B 58, 2539 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Eike)</strong></dt><dd><p>Eike and Maginn, Journal of Chemical Physics, 124, 164503 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Elliott)</strong></dt><dd><p>Elliott, Tadmor and Bernstein, <a class="reference external" href="https://openkim.org/kim-api">https://openkim.org/kim-api</a> (2011) doi: <a class="reference external" href="https://doi.org/10.25950/FF8F563A">https://doi.org/10.25950/FF8F563A</a></p>
|
||
</dd>
|
||
<dt><strong>(Ellis)</strong></dt><dd><p>Ellis, Fiedler, Popoola, Modine, Stephens, Thompson, Cangi, Rajamanickam, Phys Rev B, 104, 035120, (2021)</p>
|
||
</dd>
|
||
<dt><strong>(Emmrich)</strong></dt><dd><p>Emmrich, Weckner, Commun. Math. Sci., 5, 851-864 (2007),</p>
|
||
</dd>
|
||
<dt><strong>(Elstner)</strong></dt><dd><p>M. Elstner, D. Poresag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B, 58, 7260 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Erdmann)</strong></dt><dd><p>U. Erdmann , W. Ebeling, L. Schimansky-Geier, and F. Schweitzer, Eur. Phys. J. B 15, 105-113, 2000.</p>
|
||
</dd>
|
||
<dt><strong>(Eshelby)</strong></dt><dd><p>J.D. Eshelby, Philos. Trans. Royal Soc. London A, Math. Phys. Sci., Vol. 244, No. 877 (1951) pp. 87-112; J. Elasticity, Vol. 5, Nos. 3-4 (1975) pp. 321-335]</p>
|
||
</dd>
|
||
<dt><strong>(Espanol and Revenga)</strong></dt><dd><p>Espanol, Revenga, Physical Review E, 67, 026705 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Espanol1997)</strong></dt><dd><p>Espanol, Europhys Lett, 40(6): 631-636 (1997). DOI:10.1209/epl/i1997-00515-8</p>
|
||
</dd>
|
||
<dt><strong>(Evans and Morriss)</strong></dt><dd><p>Evans and Morriss, Phys Rev A, 30, 1528 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(Evans)</strong></dt><dd><p>Evans and Morriss, Phys. Rev. Lett. 56, 2172 (1986).</p>
|
||
</dd>
|
||
<dt><strong>(Everaers)</strong></dt><dd><p>Everaers and Ejtehadi, Phys Rev E, 67, 041710 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Faken)</strong></dt><dd><p>Faken, Jonsson, Comput Mater Sci, 2, 279 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Falk)</strong></dt><dd><p>Falk and Langer PRE, 57, 7192 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Fath)</strong></dt><dd><p>Fath, Hochbruck, Singh, J Comp Phys, 333, 180-198 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Feng1)</strong></dt><dd><ol class="upperalpha simple" start="26">
|
||
<li><p>Feng, …, and W. Ouyang, J. Phys. Chem. C. 127(18), 8704-8713 (2023).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Feng2)</strong></dt><dd><ol class="upperalpha simple" start="26">
|
||
<li><p>Feng, …, and W. Ouyang, Langmuir 39(50), 18198-18207 (2023).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Fennell)</strong></dt><dd><p>C. J. Fennell, J. D. Gezelter, J Chem Phys, 124, 234104 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Feynman)</strong></dt><dd><p>R. Feynman and A. Hibbs, Chapter 7, Quantum Mechanics and Path Integrals, McGraw-Hill, New York (1965).</p>
|
||
</dd>
|
||
<dt><strong>(Fichthorn)</strong></dt><dd><p>Fichthorn, Balankura, Qi, CrystEngComm, 18(29), 5410-5417 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Fily)</strong></dt><dd><p>Y. Fily and M.C. Marchetti, Phys. Rev. Lett. 108, 235702, 2012. Default</p>
|
||
</dd>
|
||
<dt><strong>(Fincham)</strong></dt><dd><p>Fincham, Mackrodt and Mitchell, J Phys Condensed Matter, 6, 393-404 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Finnis1)</strong></dt><dd><p>Finnis, Sinclair, Philosophical Magazine A, 50, 45 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(Finnis2)</strong></dt><dd><p>M. W. Finnis, A. T. Paxton, M. Methfessel, and M. van Schilfgarde, Phys. Rev. Lett., 81, 5149 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Fiorin)</strong></dt><dd><p>Fiorin, Klein, Henin, Mol. Phys., DOI:10.1080/00268976.2013.813594</p>
|
||
</dd>
|
||
<dt><strong>(Fox)</strong></dt><dd><p>Fox, O’Keefe, Tabbernor, Acta Crystallogr. A, 45, 786-93 (1989).</p>
|
||
</dd>
|
||
<dt><strong>(Fraige)</strong></dt><dd><p>F. Y. Fraige, P. A. Langston, A. J. Matchett, J. Dodds, Particuology, 6, 455 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Freitas)</strong></dt><dd><p>Freitas, Asta, and de Koning, Computational Materials Science, 112, 333 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Frenkel)</strong></dt><dd><p>Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002.</p>
|
||
</dd>
|
||
<dt><strong>(Fu)</strong></dt><dd><p>Fu, Peng, Yuan, Kfoury, Young, Comput. Phys. Commun, 210, 193-203(2017).</p>
|
||
</dd>
|
||
<dt><strong>(Gao)</strong></dt><dd><p>Gao and Weber, Nuclear Instruments and Methods in Physics Research B 191 (2012) 504.</p>
|
||
</dd>
|
||
<dt><strong>(Gingrich)</strong></dt><dd><p>Gingrich, <cite>MSc thesis</cite> <<a class="reference external" href="https://gingrich.chem.northwestern.edu/papers/ThesiswCorrections.pdf">https://gingrich.chem.northwestern.edu/papers/ThesiswCorrections.pdf</a>>` (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Gissinger2017)</strong></dt><dd><p>Gissinger, Jensen and Wise, Polymer, 128, 211-217 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Gissinger2020)</strong></dt><dd><p>Gissinger, Jensen and Wise, Macromolecules, 53, 22, 9953-9961 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Gissinger)</strong></dt><dd><p>Jacob R. Gissinger, Scott R. Zavada, Joseph G. Smith, Josh Kemppainen, Ivan Gallegos, Gregory M. Odegard, Emilie J. Siochi, and Kristopher E. Wise, Carbon, 202, 336-347 (2023).</p>
|
||
</dd>
|
||
<dt><strong>(Gissinger2024)</strong></dt><dd><ol class="upperalpha simple" start="10">
|
||
<li><ol class="upperalpha simple" start="18">
|
||
<li><p>Gissinger, I. Nikiforov, Y. Afshar, B. Waters, M. Choi, D. S. Karls, A. Stukowski, W. Im, H. Heinz, A. Kohlmeyer, and E. B. Tadmor, J Phys Chem B, 128, 3282-3297 (2024).</p></li>
|
||
</ol>
|
||
</li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Gloor)</strong></dt><dd><p>Gloor, J Chem Phys, 123, 134703 (2005)</p>
|
||
</dd>
|
||
<dt><strong>(Glosli)</strong></dt><dd><p>Glosli, unpublished, 2005. Streitz, Glosli, Patel, Chan, Yates, de Supinski, Sexton and Gunnels, Journal of Physics: Conference Series, 46, 254 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Goff)</strong></dt><dd><p>Goff, Zhang, Negre, Rohskopf, Niklasson, Journal of Chemical Theory and Computation 19, no. 13 (2023).</p>
|
||
</dd>
|
||
<dt><strong>(Goldman1)</strong></dt><dd><p>Goldman, Reed and Fried, J. Chem. Phys. 131, 204103 (2009)</p>
|
||
</dd>
|
||
<dt><strong>(Goldman2)</strong></dt><dd><p>Goldman, Srinivasan, Hamel, Fried, Gaus, and Elstner, J. Phys. Chem. C, 117, 7885 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Grime)</strong></dt><dd><p>Grime and Voth, to appear in J Chem Theory & Computation (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Grimme)</strong></dt><dd><p>Grimme, J Comput Chem, 27(15), 1787-1799 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Gronbech-Jensen1)</strong></dt><dd><p>Gronbech Jensen and Gronbech-Jensen, Mol Phys, 117, 2511 (2019)</p>
|
||
</dd>
|
||
<dt><strong>(Gronbech-Jensen2)</strong></dt><dd><p>Gronbech-Jensen and Farago, Mol Phys, 111, 983 (2013)</p>
|
||
</dd>
|
||
<dt><strong>(Gronbech-Jensen3)</strong></dt><dd><p>Hayre, and Farago, Comp Phys Comm, 185, 524 (2014)</p>
|
||
</dd>
|
||
<dt><strong>(Groot)</strong></dt><dd><p>Groot and Warren, J Chem Phys, 107: 4423-4435 (1997). DOI:10.1063/1.474784</p>
|
||
</dd>
|
||
<dt><strong>(Guenole)</strong></dt><dd><p>Guenole, Noehring, Vaid, Houlle, Xie, Prakash, Bitzek, Comput Mater Sci, 175, 109584 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Gullet)</strong></dt><dd><p>Gullet, Wagner, Slepoy, SANDIA Report 2003-8782 (2003). DOI:10.2172/918395</p>
|
||
</dd>
|
||
<dt><strong>(Guo)</strong></dt><dd><p>Guo and Thirumalai, Journal of Molecular Biology, 263, 323-43 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Gupta)</strong></dt><dd><p>Gupta ,Phys Rev. B, 23, 6265-6270 (1981).</p>
|
||
</dd>
|
||
<dt><strong>(Hardy)</strong></dt><dd><p>David Hardy thesis: Multilevel Summation for the Fast Evaluation of Forces for the Simulation of Biomolecules, University of Illinois at Urbana-Champaign, (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Hardy2)</strong></dt><dd><p>Hardy, Stone, Schulten, Parallel Computing, 35, 164-177 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Hecht)</strong></dt><dd><p>Hecht, Harting, Ihle, Herrmann, Phys Rev E, 72, 011408 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Henkelman1)</strong></dt><dd><p>Henkelman and Jonsson, J Chem Phys, 113, 9978-9985 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Henkelman2)</strong></dt><dd><p>Henkelman, Uberuaga, Jonsson, J Chem Phys, 113, 9901-9904 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Henkes)</strong></dt><dd><p>Henkes, S, Fily, Y., and Marchetti, M. C. Phys. Rev. E, 84, 040301(R), 2011.</p>
|
||
</dd>
|
||
<dt><strong>(Henrich)</strong></dt><dd><p>O. Henrich, Y. A. Gutierrez-Fosado, T. Curk, T. E. Ouldridge, Eur. Phys. J. E 41, 57 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Herman)</strong></dt><dd><ol class="upperalpha simple" start="13">
|
||
<li><ol class="upperalpha simple" start="6">
|
||
<li><p>Herman, E. J. Bruskin, B. J. Berne, J Chem Phys, 76, 5150 (1982).</p></li>
|
||
</ol>
|
||
</li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Hess)</strong></dt><dd><p>Hess, B. The Journal of Chemical Physics 2002, 116 (1), 209-217.</p>
|
||
</dd>
|
||
<dt><strong>(Heyes)</strong></dt><dd><p>Heyes, Phys Rev B, 49, 755 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Hijazi)</strong></dt><dd><p>M. Hijazi, D. M. Wilkins, M. Ceriotti, J. Chem. Phys. 148, 184109 (2018)</p>
|
||
</dd>
|
||
<dt><strong>(Hockney)</strong></dt><dd><p>Hockney and Eastwood, Computer Simulation Using Particles, Adam Hilger, NY (1989).</p>
|
||
</dd>
|
||
<dt><strong>(Holian)</strong></dt><dd><p>Holian and Ravelo, Phys Rev B, 51, 11275 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Hone)</strong></dt><dd><p>T. Hone, P. Rossky, G. Voth, J Chem Phys, 124, 154103 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Hoover)</strong></dt><dd><p>Hoover, Phys Rev A, 31, 1695 (1985).</p>
|
||
</dd>
|
||
<dt><strong>(Huang)</strong></dt><dd><p>Huang, Zhang, Yuan, Gao, Zhang, Nano Lett. 13, 4546(2013).</p>
|
||
</dd>
|
||
<dt><strong>(Huang2014)</strong></dt><dd><ol class="upperalpha simple" start="24">
|
||
<li><p>Huang, “Exploring critical-state behavior using DEM”, Doctoral dissertation, Imperial College. (2014). <a class="reference external" href="https://doi.org/10.25560/25316">https://doi.org/10.25560/25316</a></p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Hu)</strong></dt><dd><p>Hu, and Adams J. Comp. Physics, 213, 844-861 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Hu)</strong></dt><dd><p>Hu, J. Chem. Theory Comput. 10, 5254 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Hummer)</strong></dt><dd><p>Hummer, Gronbech-Jensen, Neumann, J Chem Phys, 109, 2791 (1998)</p>
|
||
</dd>
|
||
<dt><strong>(Hunt)</strong></dt><dd><p>Hunt, Mol Simul, 42, 347 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Ikeshoji)</strong></dt><dd><p>Ikeshoji and Hafskjold, Molecular Physics, 81, 251-261 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Ikeshoji2)</strong></dt><dd><p>Ikeshoji, Hafskjold, Furuholt, Mol Sim, 29, 101-109, (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Ilie)</strong></dt><dd><p>Ilie, Briels, den Otter, Journal of Chemical Physics, 142, 114103 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(In ‘t Veld)</strong></dt><dd><p>In ‘t Veld, Ismail, Grest, J Chem Phys (accepted) (2007).</p>
|
||
</dd>
|
||
<dt><strong>(IPI)</strong></dt><dd><p><cite>https://ipi-code.org/ <https://ipi-code.org/></cite></p>
|
||
</dd>
|
||
<dt><strong>(IPI-CPC)</strong></dt><dd><p>Ceriotti, More and Manolopoulos, Comp Phys Comm, 185, 1019-1026 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Isele-Holder)</strong></dt><dd><p>Isele-Holder, Mitchell, Ismail, J Chem Phys, 137, 174107 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Isele-Holder2)</strong></dt><dd><p>Isele-Holder, Mitchell, Hammond, Kohlmeyer, Ismail, J Chem Theory Comput 9, 5412 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Ismail)</strong></dt><dd><p>Ismail, Tsige, In ‘t Veld, Grest, Molecular Physics (accepted) (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Ivanov)</strong></dt><dd><p>Ivanov, Uzdin, Jonsson. arXiv preprint arXiv:1904.02669, (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Izrailev)</strong></dt><dd><p>Izrailev, Stepaniants, Isralewitz, Kosztin, Lu, Molnar, Wriggers, Schulten. Computational Molecular Dynamics: Challenges, Methods, Ideas, volume 4 of Lecture Notes in Computational Science and</p>
|
||
</dd>
|
||
<dt><strong>(Izvekov)</strong></dt><dd><p>Izvekov, Voth, J Chem Phys 123, 134105 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Jadhao)</strong></dt><dd><p>Jadhao, Solis, Olvera de la Cruz, J Chem Phys, 138, 054119 (2013)</p>
|
||
</dd>
|
||
<dt><strong>(Janssens)</strong></dt><dd><p>Janssens, Olmsted, Holm, Foiles, Plimpton, Derlet, Nature Materials, 5, 124-127 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Jaramillo-Botero)</strong></dt><dd><p>Jaramillo-Botero, Su, Qi, Goddard, Large-scale, Long-term Non-adiabatic Electron Molecular Dynamics for Describing Material Properties and Phenomena in Extreme Environments, J Comp</p>
|
||
</dd>
|
||
<dt><strong>(Jarzynski)</strong></dt><dd><p>Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)</p>
|
||
</dd>
|
||
<dt><strong>(Jiang)</strong></dt><dd><p>Jiang, Hardy, Phillips, MacKerell, Schulten, and Roux, J Phys Chem Lett, 2, 87-92 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Jiang1)</strong></dt><dd><p>Jiang, Hardy, Phillips, MacKerell, Schulten, and Roux, J Phys Chem Lett, 2, 87-92 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Jiang2)</strong></dt><dd><p>J.-W. Jiang, Nanotechnology 26, 315706 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Jiang3)</strong></dt><dd><p>J.-W. Jiang, Acta Mech. Solida. Sin 32, 17 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Johnson et al, 1971)</strong></dt><dd><p>Johnson, K. L., Kendall, K., & Roberts, A. D. (1971). Surface energy and the contact of elastic solids. Proc. R. Soc. Lond. A, 324(1558), 301-313.</p>
|
||
</dd>
|
||
<dt><strong>(Jones)</strong></dt><dd><p>Jones, RE; Templeton, JA; Wagner, GJ; Olmsted, D; Modine, JA, “Electron transport enhanced molecular dynamics for metals and semi-metals.” International Journal for Numerical Methods in Engineering (2010), 83:940.</p>
|
||
</dd>
|
||
<dt><strong>(Jonsson)</strong></dt><dd><p>Jonsson, Mills and Jacobsen, in Classical and Quantum Dynamics in Condensed Phase Simulations, edited by Berne, Ciccotti, and Coker World Scientific, Singapore, 1998, p 385.</p>
|
||
</dd>
|
||
<dt><strong>(Jorgensen)</strong></dt><dd><p>Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem Phys, 79, 926 (1983).</p>
|
||
</dd>
|
||
<dt><strong>(Jusufi)</strong></dt><dd><p>Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112, 13783 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Kamberaj)</strong></dt><dd><p>Kamberaj, Low, Neal, J Chem Phys, 122, 224114 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Katsura)</strong></dt><dd><p>H. Katsura, N. Nagaosa, A.V. Balatsky. Phys. Rev. Lett., 95(5), 057205. (2005)</p>
|
||
</dd>
|
||
<dt><strong>(Kelchner)</strong></dt><dd><p>Kelchner, Plimpton, Hamilton, Phys Rev B, 58, 11085 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Khrapak)</strong></dt><dd><p>Khrapak, Chaudhuri, and Morfill, J Chem Phys, 134, 054120 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Kim)</strong></dt><dd><p>Kim, Keyes, Straub, J Chem. Phys, 132, 224107 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Klapp)</strong></dt><dd><p>Klapp, Schoen, J Chem Phys, 117, 8050 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Kolafa)</strong></dt><dd><p>Kolafa and Perram, Molecular Simulation, 9, 351 (1992).</p>
|
||
</dd>
|
||
<dt><strong>(Kolmogorov)</strong></dt><dd><p>A. N. Kolmogorov, V. H. Crespi, Phys. Rev. B 71, 235415 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Kong)</strong></dt><dd><p>L.T. Kong, G. Bartels, C. Campana, C. Denniston, and Martin H. Muser, <a class="reference external" href="https://doi.org/10.1016/j.cpc.2008.12.035">Computer Physics Communications [180](6):1004-1010 (2009).</a></p>
|
||
</dd>
|
||
<dt><strong>(Kong2011)</strong></dt><dd><p>L.T. Kong, <a class="reference external" href="https://doi.org/10.1016/j.cpc.2011.04.019">Computer Physics Communications [182](10):2201-2207, (2011).</a></p>
|
||
</dd>
|
||
<dt><strong>(Kremer)</strong></dt><dd><p>Kremer, Grest, J Chem Phys, 92, 5057 (1990).</p>
|
||
</dd>
|
||
<dt><strong>(Kuhn and Bagi, 2005)</strong></dt><dd><p>Kuhn, M. R., & Bagi, K. (2004). Contact rolling and deformation in granular media. International journal of solids and structures, 41(21), 5793-5820.</p>
|
||
</dd>
|
||
<dt><strong>(Kumagai)</strong></dt><dd><p>T. Kumagai, S. Izumi, S. Hara, S. Sakai, Comp. Mat. Science, 39, 457 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Kumar)</strong></dt><dd><p>Kumar and Higdon, Phys Rev E, 82, 051401 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Kumar)</strong></dt><dd><p>Kumar and Skinner, J. Phys. Chem. B, 112, 8311 (2008)</p>
|
||
</dd>
|
||
<dt><strong>(Lafourcade)</strong></dt><dd><p>Lafourcade, Maillet, Denoual, Duval, Allera, Goryaeva, and Marinica, <a class="reference external" href="https://doi.org/10.1016/j.commatsci.2023.112534">Comp. Mat. Science, 230, 112534 (2023)</a></p>
|
||
</dd>
|
||
<dt><strong>(Lamoureux and Roux)</strong></dt><dd><p>G. Lamoureux, B. Roux, J. Chem. Phys 119, 3025 (2003)</p>
|
||
</dd>
|
||
<dt><strong>(Lamoureux)</strong></dt><dd><p>Lamoureux and Roux, J Chem Phys, 119, 3025-3039 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Landsgesell)</strong></dt><dd><ol class="upperalpha simple" start="10">
|
||
<li><p>Landsgesell, P. Hebbeker, O. Rud, R. Lunkad, P. Kosovan, and C. Holm, Macromolecules 53, 3007-3020 (2020).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Larentzos1)</strong></dt><dd><p>J.P. Larentzos, J.K. Brennan, J.D. Moore, M. Lisal and W.D. Mattson, Comput. Phys. Commun., 185, 1987-1998 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Larentzos2)</strong></dt><dd><p>J.P. Larentzos, J.K. Brennan, J.D. Moore, and W.D. Mattson, ARL-TR-6863, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Larsen)</strong></dt><dd><p>Larsen, Schmidt, Schiotz, Modelling Simul Mater Sci Eng, 24, 055007 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Lebedeva1)</strong></dt><dd><p>I. V. Lebedeva, A. A. Knizhnik, A. M. Popov, Y. E. Lozovik, B. V. Potapkin, Phys. Rev. B, 84, 245437 (2011)</p>
|
||
</dd>
|
||
<dt><strong>(Lebedeva2)</strong></dt><dd><ol class="upperroman simple">
|
||
<li><ol class="upperalpha simple" start="22">
|
||
<li><p>Lebedeva, A. A. Knizhnik, A. M. Popov, Y. E. Lozovik, B. V. Potapkin, Physica E: 44, 949-954 (2012)</p></li>
|
||
</ol>
|
||
</li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Lechman)</strong></dt><dd><p>Lechman, et al, in preparation (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Lee)</strong></dt><dd><p>Lee, Baskes, Phys. Rev. B, 62, 8564-8567 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Lee2)</strong></dt><dd><p>Lee, Baskes, Kim, Cho. Phys. Rev. B, 64, 184102 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Lee2020)</strong></dt><dd><p>C.W. Lee, et al. (2020) Physical Review B, 102(2), 024107.</p>
|
||
</dd>
|
||
<dt><strong>(Lenart)</strong></dt><dd><p>Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126, 044509 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Lenosky)</strong></dt><dd><p>Lenosky, Sadigh, Alonso, Bulatov, de la Rubia, Kim, Voter, Kress, Modelling Simulation Materials Science Engineering, 8, 825 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Leven1)</strong></dt><dd><p>I. Leven, I. Azuri, L. Kronik and O. Hod, J. Chem. Phys. 140, 104106 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Leven2)</strong></dt><dd><p>I. Leven et al, J. Chem.Theory Comput. 12, 2896-905 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Li2013_POF)</strong></dt><dd><p>Li, Hu, Wang, Ma, Zhou, Phys Fluids, 25: 072103 (2013). DOI:10.1063/1.4812366.</p>
|
||
</dd>
|
||
<dt><strong>(Li2014_JCP)</strong></dt><dd><p>Li, Tang, Lei, Caswell, Karniadakis, J Comput Phys, 265: 113-127 (2014). DOI:10.1016/j.jcp.2014.02.003.</p>
|
||
</dd>
|
||
<dt><strong>(Li2015_CC)</strong></dt><dd><p>Li, Tang, Li, Karniadakis, Chem Commun, 51: 11038-11040 (2015). DOI:10.1039/C5CC01684C.</p>
|
||
</dd>
|
||
<dt><strong>(Li2015_JCP)</strong></dt><dd><p>Li, Yazdani, Tartakovsky, Karniadakis, J Chem Phys, 143: 014101 (2015). DOI:10.1063/1.4923254.</p>
|
||
</dd>
|
||
<dt><strong>(Liang)</strong></dt><dd><p>Liang, Phillpot, Sinnott Phys. Rev. B79 245110, (2009), Erratum: Phys. Rev. B85 199903(E), (2012)</p>
|
||
</dd>
|
||
<dt><strong>(Lisal)</strong></dt><dd><p>M. Lisal, J.K. Brennan, J. Bonet Avalos, J. Chem. Phys., 135, 204105 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Liu1)</strong></dt><dd><p>L. Liu, Y. Liu, S. V. Zybin, H. Sun and W. A. Goddard, Journal of Physical Chemistry A, 115, 11016-11022 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Liu2)</strong></dt><dd><p>Liu, Bryantsev, Diallo, Goddard III, J. Am. Chem. Soc 131 (8) 2798 (2009)</p>
|
||
</dd>
|
||
<dt><strong>(Los and Fasolino)</strong></dt><dd><p>J. H. Los and A. Fasolino, Phys. Rev. B 68, 024107 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Los2017)</strong></dt><dd><p>J. H. Los et al. “Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h-BN”, Phys. Rev. B 96 (184108), 2017.</p>
|
||
</dd>
|
||
<dt><strong>(Luding, 2008)</strong></dt><dd><p>Luding, S. (2008). Cohesive, frictional powders: contact models for tension. Granular matter, 10(4), 235.</p>
|
||
</dd>
|
||
<dt><strong>(Lysogorskiy)</strong></dt><dd><p>Lysogorskiy, van der Oord, Bochkarev, Menon, Rinaldi, Hammerschmidt, Mrovec, Thompson, Csanyi, Ortner, Drautz, npj Comp Mat, 7, 97 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(Lysogorskiy21)</strong></dt><dd><p>Lysogorskiy, van der Oord, Bochkarev, Menon, Rinaldi, Hammerschmidt, Mrovec, Thompson, Csanyi, Ortner, Drautz, npj Comp Mat, 7, 97 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(Lysogorskiy23)</strong></dt><dd><p>Lysogorskiy, Bochkarev, Mrovec, Drautz, Phys Rev Mater, 7, 043801 (2023) / arXiv:2212.08716 (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Maaravi)</strong></dt><dd><p>T. Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(MacKerell)</strong></dt><dd><p>MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field, Fischer, Gao, Guo, Ha, et al, J Phys Chem B, 102, 3586 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Mackay and Denniston)</strong></dt><dd><p>Mackay, F. E., and Denniston, C., Coupling MD particles to a lattice-Boltzmann fluid through the use of conservative forces, J. Comput. Phys. 237 (2013) 289-298.</p>
|
||
</dd>
|
||
<dt><strong>(Mackay et al.)</strong></dt><dd><p>Mackay, F. E., Ollila, S.T.T., and Denniston, C., Hydrodynamic Forces Implemented into LAMMPS through a lattice-Boltzmann fluid, Computer Physics Communications 184 (2013) 2021-2031.</p>
|
||
</dd>
|
||
<dt><strong>(Magda)</strong></dt><dd><p>Magda, Tirrell, Davis, J Chem Phys, 83, 1888-1901 (1985); erratum in JCP 84, 2901 (1986).</p>
|
||
</dd>
|
||
<dt><strong>(Maginn)</strong></dt><dd><p>Kelkar, Rafferty, Maginn, Siepmann, Fluid Phase Equilibria, 260, 218-231 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Mahoney)</strong></dt><dd><p>Mahoney, Jorgensen, J Chem Phys 112, 8910 (2000)</p>
|
||
</dd>
|
||
<dt><strong>(Malolepsza)</strong></dt><dd><p>Malolepsza, Secor, Keyes, J Phys Chem B 119 (42), 13379-13384 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Mandadapu)</strong></dt><dd><p>Mandadapu, KK; Templeton, JA; Lee, JW, “Polarization as a field variable from molecular dynamics simulations.” Journal of Chemical Physics (2013), 139:054115. Please refer to the standard finite element (FE) texts, e.g. T.J.R Hughes “ The finite element method “, Dover 2003, for the basics of FE simulation.</p>
|
||
</dd>
|
||
<dt><strong>(Mandelli_1)</strong></dt><dd><ol class="upperalpha simple" start="4">
|
||
<li><p>Mandelli, W. Ouyang, M. Urbakh, and O. Hod, ACS Nano 13(7), 7603-7609 (2019).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Maras)</strong></dt><dd><p>Maras, Trushin, Stukowski, Ala-Nissila, Jonsson, Comp Phys Comm, 205, 13-21 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Marrink)</strong></dt><dd><p>Marrink, de Vries, Mark, J Phys Chem B, 108, 750-760 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Marshall, 2009)</strong></dt><dd><p>Marshall, J. S. (2009). Discrete-element modeling of particulate aerosol flows. Journal of Computational Physics, 228(5), 1541-1561.</p>
|
||
</dd>
|
||
<dt><strong>(Martyna1992)</strong></dt><dd><p>Martyna, Klein, Tuckerman, J Chem Phys, 97, 2635 (1992); Martyna, Tuckerman, Tobias, Klein, Mol Phys, 87, 1117.</p>
|
||
</dd>
|
||
<dt><strong>(Martyna1994)</strong></dt><dd><p>Martyna, Tobias and Klein, J Chem Phys, 101, 4177 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Martyna2)</strong></dt><dd><ol class="upperalpha simple" start="7">
|
||
<li><p>Martyna, A. Hughes, M. Tuckerman, J. Chem. Phys. 110, 3275 (1999).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Mason)</strong></dt><dd><p>J. K. Mason, Acta Cryst A65, 259 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Mattice)</strong></dt><dd><p>Mattice, Suter, Conformational Theory of Large Molecules, Wiley, New York, 1994.</p>
|
||
</dd>
|
||
<dt><strong>(Maxwell)</strong></dt><dd><p>J.C. Maxwell, Philos. Tans. Royal Soc. London, 157: 49-88 (1867).</p>
|
||
</dd>
|
||
<dt><strong>(Mayergoyz)</strong></dt><dd><p>I.D. Mayergoyz, G. Bertotti, C. Serpico (2009). Elsevier (2009)</p>
|
||
</dd>
|
||
<dt><strong>(Mayo)</strong></dt><dd><p>Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990).</p>
|
||
</dd>
|
||
<dt><strong>(Mees)</strong></dt><dd><p>M. J. Mees, G. Pourtois, E. C. Neyts, B. J. Thijsse, and A. Stesmans, Phys. Rev. B 85, 134301 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Mei)</strong></dt><dd><p>Mei, Davenport, Fernando, Phys Rev B, 43 4653 (1991)</p>
|
||
</dd>
|
||
<dt><strong>(Melchor)</strong></dt><dd><p>Gonzalez-Melchor, Mayoral, Velazquez, and Alejandre, J Chem Phys, 125, 224107 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Meloni)</strong></dt><dd><p>Meloni, Rosati and Colombo, J Chem Phys, 126, 121102 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Meremianin)</strong></dt><dd><p>Meremianin, J. Phys. A, 39, 3099 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Mezei)</strong></dt><dd><p>Mezei, J Chem Phys, 86, 7084 (1987)</p>
|
||
</dd>
|
||
<dt><strong>(Mickel)</strong></dt><dd><p>W. Mickel, S. C. Kapfer, G. E. Schroeder-Turkand, K. Mecke, J. Chem. Phys. 138, 044501 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Mie)</strong></dt><dd><p>G. Mie, Ann Phys, 316, 657 (1903).</p>
|
||
</dd>
|
||
<dt><strong>(Milano)</strong></dt><dd><ol class="upperalpha simple" start="7">
|
||
<li><p>Milano, S. Goudeau, F. Mueller-Plathe, J. Polym. Sci. B Polym. Phys. 43, 871 (2005).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Miller1)</strong></dt><dd><p>T. F. Miller III, M. Eleftheriou, P. Pattnaik, A. Ndirango, G. J. Martyna, J. Chem. Phys., 116, 8649-8659 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Miller2)</strong></dt><dd><p>Miller, Tadmor, Gibson, Bernstein and Pavia, J Chem Phys, 144, 184107 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Minary)</strong></dt><dd><p>Minary, Martyna, and Tuckerman, J Chem Phys, 18, 2510 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Mindlin and Deresiewicz, 1953)</strong></dt><dd><p>Mindlin, R.D., & Deresiewicz, H (1953). Elastic Spheres in Contact under Varying Oblique Force. J. Appl. Mech., ASME 20, 327-344.</p>
|
||
</dd>
|
||
<dt><strong>(Mindlin, 1949)</strong></dt><dd><p>Mindlin, R. D. (1949). Compliance of elastic bodies in contact. J. Appl. Mech., ASME 16, 259-268.</p>
|
||
</dd>
|
||
<dt><strong>(Miron)</strong></dt><dd><p>R. A. Miron and K. A. Fichthorn, J Chem Phys, 119, 6210 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Mishin)</strong></dt><dd><p>Mishin, Mehl, and Papaconstantopoulos, Acta Mater, 53, 4029 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Mitchell and Fincham)</strong></dt><dd><p>Mitchell, Fincham, J Phys Condensed Matter, 5, 1031-1038 (1993).</p>
|
||
</dd>
|
||
<dt><strong>(Mitchell2011)</strong></dt><dd><p>Mitchell. A non-local, ordinary-state-based viscoelasticity model for peridynamics. Sandia National Lab Report, 8064:1-28 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Mitchell2011a)</strong></dt><dd><p>Mitchell. A Nonlocal, Ordinary, State-Based Plasticity Model for Peridynamics. Sandia National Lab Report, 3166:1-34 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Miyazaki)</strong></dt><dd><p>Miyazaki, Okazaki, Shinoda, J Chem Theory Comput, 16, 782-793 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Mniszewski)</strong></dt><dd><p>S. M. Mniszewski, M. J. Cawkwell, M. E. Wall, J. Mohd-Yusof, N. Bock, T. C. Germann, and A. M. N. Niklasson, J. Chem. Theory Comput., 11, 4644 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Monaghan)</strong></dt><dd><p>Monaghan and Gingold, Journal of Computational Physics, 52, 374-389 (1983).</p>
|
||
</dd>
|
||
<dt><strong>(Monti)</strong></dt><dd><p>Monti, Clemmer, Srivastava, Silbert, Grest, and Lechman, Phys. Rev. E, (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Moore)</strong></dt><dd><p>Moore, J Chem Phys, 144, 104501 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Mori)</strong></dt><dd><p>Y. Mori, Y. Okamoto, J. Phys. Soc. Jpn., 7, 074003 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Moriarty1)</strong></dt><dd><p>Moriarty, Physical Review B, 38, 3199 (1988).</p>
|
||
</dd>
|
||
<dt><strong>(Moriarty2)</strong></dt><dd><p>Moriarty, Physical Review B, 42, 1609 (1990). Moriarty, Physical Review B 49, 12431 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Moriarty3)</strong></dt><dd><p>Moriarty, Benedict, Glosli, Hood, Orlikowski, Patel, Soderlind, Streitz, Tang, and Yang, Journal of Materials Research, 21, 563 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Morris)</strong></dt><dd><p>Morris, Fox, Zhu, J Comp Physics, 136, 214-226 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Moustafa)</strong></dt><dd><p>Sabry G. Moustafa, Andrew J. Schultz, and David A. Kofke, <a class="reference external" href="https://link.aps.org/doi/10.1103/PhysRevE.92.043303">Phys. Rev. E [92], 043303 (2015)</a></p>
|
||
</dd>
|
||
<dt><strong>(Muller-Plathe1)</strong></dt><dd><p>Muller-Plathe, J Chem Phys, 106, 6082 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Muller-Plathe2)</strong></dt><dd><p>Muller-Plathe, Phys Rev E, 59, 4894-4898 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Murdick)</strong></dt><dd><p>D.A. Murdick, X.W. Zhou, H.N.G. Wadley, D. Nguyen-Manh, R. Drautz, and D.G. Pettifor, Phys. Rev. B, 73, 45206 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Murty)</strong></dt><dd><p>M.V.R. Murty, H.A. Atwater, Phys Rev B, 51, 4889 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Nakano)</strong></dt><dd><p>A. Nakano, Computer Physics Communications, 104, 59-69 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Neelov)</strong></dt><dd><p>Neelov, Holm, J Chem Phys 132, 234103 (2010)</p>
|
||
</dd>
|
||
<dt><strong>(Nelson)</strong></dt><dd><p>Nelson, Halperin, Phys Rev B, 19, 2457 (1979).</p>
|
||
</dd>
|
||
<dt><strong>(Nettleton)</strong></dt><dd><p>Nettleton and Green, J Chem Phys, 29, 6 (1958).</p>
|
||
</dd>
|
||
<dt><strong>(Neyts)</strong></dt><dd><p>E. C. Neyts and A. Bogaerts, Theor. Chem. Acc. 132, 1320 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Nguyen2023)</strong></dt><dd><p>Nguyen, Physical Review B, 107(14), 144103, (2023).</p>
|
||
</dd>
|
||
<dt><strong>(Nguyen2024)</strong></dt><dd><p>Nguyen, Journal of Computational Physics, 113102, (2024).</p>
|
||
</dd>
|
||
<dt><strong>(Nguyen and Rohskopf)</strong></dt><dd><p>Nguyen and Rohskopf, Journal of Computational Physics, 480, 112030, (2023).</p>
|
||
</dd>
|
||
<dt><strong>(Nguyen and Sema)</strong></dt><dd><p>Nguyen and Sema, <a class="reference external" href="https://arxiv.org/abs/2405.00306">https://arxiv.org/abs/2405.00306</a>, (2024).</p>
|
||
</dd>
|
||
<dt><strong>(NguyenTD)</strong></dt><dd><p>Nguyen, Li, Bagchi, Solis, Olvera de la Cruz, Comput Phys Commun 241, 80-19 (2019)</p>
|
||
</dd>
|
||
<dt><strong>(Nicholson and Rutledge)</strong></dt><dd><p>Nicholson and Rutledge, J Chem Phys, 145, 244903 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Niklasson2002)</strong></dt><dd><p>A. M. N. Niklasson, Phys. Rev. B, 66, 155115 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Niklasson2008)</strong></dt><dd><p>A. M. N. Niklasson, Phys. Rev. Lett., 100, 123004 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Niklasson2014)</strong></dt><dd><p>A. M. N. Niklasson and M. Cawkwell, J. Chem. Phys., 141, 164123, (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Niklasson2017)</strong></dt><dd><p>A. M. N. Niklasson, J. Chem. Phys., 147, 054103 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Nitol)</strong></dt><dd><p>Nitol, Dickel, and Barrett, Computational Materials Science 188 (2021): 110207.</p>
|
||
</dd>
|
||
<dt><strong>(Noid)</strong></dt><dd><p>Noid, Chu, Ayton, Krishna, Izvekov, Voth, Das, Andersen, J Chem Phys 128, 134105 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Nordlund95)</strong></dt><dd><p>Nordlund, Kai. Computational materials science 3.4 (1995): 448-456.</p>
|
||
</dd>
|
||
<dt><strong>(Nordlund98)</strong></dt><dd><p>Nordlund, Kai, et al. Physical Review B 57.13 (1998): 7556.</p>
|
||
</dd>
|
||
<dt><strong>(Norman)</strong></dt><dd><p>G E Norman, S V Starikov, V V Stegailov et al., Contrib. Plasma Phys., 53, 129-139 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Noskov)</strong></dt><dd><p>Noskov, Lamoureux and Roux, J Phys Chem B, 109, 6705 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Nurdin)</strong></dt><dd><p>Nurdin and Schotte Phys Rev E, 61(4), 3579 (2000)</p>
|
||
</dd>
|
||
<dt><strong>(O’Connor)</strong></dt><dd><p>O’Connor et al., J. Chem. Phys. 142, 024903 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(O’Hearn)</strong></dt><dd><p>O’Hearn, Alperen, Aktulga, SIAM J. Sci. Comput., 42(1), C1–C22 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Okabe)</strong></dt><dd><p>T. Okabe, M. Kawata, Y. Okamoto, M. Masuhiro, Chem. Phys. Lett., 335, 435-439 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Ollila et al.)</strong></dt><dd><p>Ollila, S.T.T., Denniston, C., Karttunen, M., and Ala-Nissila, T., Fluctuating lattice-Boltzmann model for complex fluids, J. Chem. Phys. 134 (2011) 064902.</p>
|
||
</dd>
|
||
<dt><strong>(Omelyan)</strong></dt><dd><p>Omelyan, Mryglod, and Folk. Phys. Rev. Lett. 86(5), 898. (2001).</p>
|
||
</dd>
|
||
</dl>
|
||
<p><strong>(OPLS-AA96)</strong> Jorgensen, Maxwell, Tirado-Rives, J Am Chem Soc, 118(45), 11225-11236 (1996).</p>
|
||
<dl class="simple">
|
||
<dt><strong>(Oppelstrup)</strong></dt><dd><p>Oppelstrup, unpublished, 2015. Oppelstrup and Moriarty, to be published.</p>
|
||
</dd>
|
||
<dt><strong>(Orsi)</strong></dt><dd><p>Orsi & Essex, The ELBA force field for coarse-grain modeling of lipid membranes, PloS ONE 6(12): e28637, 2011.</p>
|
||
</dd>
|
||
<dt><strong>(Otis R. Walton)</strong></dt><dd><p>Walton, O.R., Personal Communication</p>
|
||
</dd>
|
||
<dt><strong>(Ouldridge)</strong></dt><dd><p>T.E. Ouldridge, A.A. Louis, J.P.K. Doye, J. Chem. Phys. 134, 085101 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Ouldridge-DPhil)</strong></dt><dd><p>T.E. Ouldridge, Coarse-grained modelling of DNA and DNA self-assembly, DPhil. University of Oxford (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Ouyang1)</strong></dt><dd><p>W. Ouyang, D. Mandelli, M. Urbakh and O. Hod, Nano Lett. 18, 6009-6016 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Ouyang2)</strong></dt><dd><p>W. Ouyang et al., J. Chem. Theory Comput. 16(1), 666-676 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Ouyang_1)</strong></dt><dd><ol class="upperalpha simple" start="23">
|
||
<li><p>Ouyang et al., J. Chem. Theory Comput. 16(1), 666-676 (2020).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Ouyang6)</strong></dt><dd><ol class="upperalpha simple" start="23">
|
||
<li><p>Ouyang, O. Hod, and R. Guerra, J. Chem. Theory Comput. 17, 7215 (2021).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Ouyang7)</strong></dt><dd><ol class="upperalpha simple" start="23">
|
||
<li><p>Ouyang, et al., J. Chem. Theory Comput. 17, 7237 (2021).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Palkar)</strong></dt><dd><p>Palkar V, Kuksenok O, J. Phys. Chem. B, 126 (1), 336-346, 2022</p>
|
||
</dd>
|
||
<dt><strong>(Paquay)</strong></dt><dd><p>Paquay and Kusters, Biophys. J., 110, 6, (2016). preprint available at <a class="reference external" href="https://arxiv.org/abs/1411.3019/">arXiv:1411.3019</a>.</p>
|
||
</dd>
|
||
<dt><strong>(Park)</strong></dt><dd><p>Park, Schulten, J. Chem. Phys. 120 (13), 5946 (2004)</p>
|
||
</dd>
|
||
<dt><strong>(Parks)</strong></dt><dd><p>Parks, Lehoucq, Plimpton, Silling, Comp Phys Comm, 179(11), 777-783 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Parrinello)</strong></dt><dd><p>Parrinello and Rahman, J Appl Phys, 52, 7182 (1981).</p>
|
||
</dd>
|
||
<dt><strong>(PASS)</strong></dt><dd><p>PASS webpage: <a class="reference external" href="https://www.sdu.dk/en/DPASS">https://www.sdu.dk/en/DPASS</a></p>
|
||
</dd>
|
||
<dt><strong>(Paula Leite2016)</strong></dt><dd><p>Paula Leite , Freitas, Azevedo, and de Koning, J Chem Phys, 126, 044509 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Paula Leite2017)</strong></dt><dd><p>Paula Leite, Santos-Florez, and de Koning, Phys Rev E, 96, 32115 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Pavlov1)</strong></dt><dd><p>D Pavlov, V Galigerov, D Kolotinskii, V Nikolskiy, V Stegailov, International Journal of High Performance Computing Applications, 38, 34-49 (2024).</p>
|
||
</dd>
|
||
<dt><strong>(Pavlov2)</strong></dt><dd><p>Pavlov, Galigerov, Kolotinskii, Nikolskiy, Stegailov, “GPU-based Molecular Dynamics of Fluid Flows: Reaching for Turbulence”, Int. J. High Perf. Comp. Appl., (2024)</p>
|
||
</dd>
|
||
<dt><strong>(Pearlman)</strong></dt><dd><p>Pearlman, J Chem Phys, 98, 1487 (1994)</p>
|
||
</dd>
|
||
<dt><strong>(Pedersen)</strong></dt><dd><p>Pedersen, J. Chem. Phys., 139, 104102 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Pedone)</strong></dt><dd><ol class="upperalpha simple">
|
||
<li><p>Pedone, G. Malavasi, M. C. Menziani, A. N. Cormack, and U. Segre, J. Phys. Chem. B, 110, 11780 (2006)</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Peng)</strong></dt><dd><p>Peng, Ren, Dudarev, Whelan, Acta Crystallogr. A, 52, 257-76 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Perram)</strong></dt><dd><p>Perram and Rasmussen, Phys Rev E, 54, 6565-6572 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Petersen)</strong></dt><dd><p>Petersen, J Chem Phys, 103, 3668 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Petersen)</strong></dt><dd><p>Petersen, Lechman, Plimpton, Grest, in’ t Veld, Schunk, J Chem Phys, 132, 174106 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Pettifor_1)</strong></dt><dd><p>D.G. Pettifor and I.I. Oleinik, Phys. Rev. B, 59, 8487 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Pettifor_2)</strong></dt><dd><p>D.G. Pettifor and I.I. Oleinik, Phys. Rev. Lett., 84, 4124 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Pettifor_3)</strong></dt><dd><p>D.G. Pettifor and I.I. Oleinik, Phys. Rev. B, 65, 172103 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(PFC)</strong></dt><dd><p>PFC Particle Flow Code 6.0 Documentation. Itasca Consulting Group.</p>
|
||
</dd>
|
||
<dt><strong>(Phillips)</strong></dt><dd><p>C. L. Phillips, J. A. Anderson, S. C. Glotzer, Comput Phys Comm, 230, 7191-7201 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Piaggi)</strong></dt><dd><p>Piaggi and Parrinello, J Chem Phys, 147, 114112 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Pisarev)</strong></dt><dd><p>V V Pisarev and S V Starikov, J. Phys.: Condens. Matter, 26, 475401 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Plimpton)</strong></dt><dd><p>Plimpton and Knight, JPDC, 147, 184-195 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(PLUMED)</strong></dt><dd><p>G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014)</p>
|
||
</dd>
|
||
<dt><strong>(Pollock)</strong></dt><dd><p>Pollock and Glosli, Comp Phys Comm, 95, 93 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Ponder)</strong></dt><dd><p>Ponder, Wu, Ren, Pande, Chodera, Schnieders, Haque, Mobley, Lambrecht, DiStasio Jr, M. Head-Gordon, Clark, Johnson, T. Head-Gordon, J Phys Chem B, 114, 2549-2564 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Popov1)</strong></dt><dd><p>A.M. Popov, I. V. Lebedeva, A. A. Knizhnik, Y. E. Lozovik and B. V. Potapkin, Chem. Phys. Lett. 536, 82-86 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Price1)</strong></dt><dd><p>Price and Brooks, J Chem Phys, 121, 10096 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Price2)</strong></dt><dd><p>Price, Stone and Alderton, Mol Phys, 52, 987 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(QEq/Fire)</strong></dt><dd><p>T.-R. Shan, A. P. Thompson, S. J. Plimpton, in preparation</p>
|
||
</dd>
|
||
<dt><strong>(Qi)</strong></dt><dd><p>Qi and Reed, J. Phys. Chem. A 116, 10451 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Ramirez)</strong></dt><dd><p>J. Ramirez, S.K. Sukumaran, B. Vorselaars and A.E. Likhtman, J. Chem. Phys. 133, 154103 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Rappe)</strong></dt><dd><p>Rappe and Goddard III, Journal of Physical Chemistry, 95, 3358-3363 (1991).</p>
|
||
</dd>
|
||
<dt><strong>(Ravelo)</strong></dt><dd><p>Ravelo, Holian, Germann and Lomdahl, Phys Rev B, 70, 014103 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(ReaxFF)</strong></dt><dd><p>A. C. T. van Duin, S. Dasgupta, F. Lorant, W. A. Goddard III, J Physical Chemistry, 105, 9396-9049 (2001)</p>
|
||
</dd>
|
||
<dt><strong>(Rector)</strong></dt><dd><p>Rector, Van Swol, Henderson, Molecular Physics, 82, 1009 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Ree)</strong></dt><dd><p>Ree, Journal of Chemical Physics, 73, 5401 (1980).</p>
|
||
</dd>
|
||
<dt><strong>(Reed)</strong></dt><dd><p>Reed, Fried, and Joannopoulos, Phys. Rev. Lett., 90, 235503 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Reed2)</strong></dt><dd><p>Reed, J. Phys. Chem. C, 116, 2205 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Rick)</strong></dt><dd><p>S. W. Rick, S. J. Stuart, B. J. Berne, J Chem Phys 101, 16141 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Rick2)</strong></dt><dd><ol class="upperalpha simple" start="19">
|
||
<li><ol class="upperalpha simple" start="23">
|
||
<li><p>Rick, S. J. Stuart, B. J. Berne, J Chem Phys 101, 6141</p></li>
|
||
</ol>
|
||
</li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Roberts)</strong></dt><dd><ol class="upperalpha simple" start="18">
|
||
<li><p>Roberts (2019) “Evenly Distributing Points in a Triangle.” Extreme Learning. <a class="reference external" href="http://extremelearning.com.au/evenly-distributing-points-in-a-triangle/">http://extremelearning.com.au/evenly-distributing-points-in-a-triangle/</a></p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Rohart)</strong></dt><dd><p>Rohart and Thiaville, Physical Review B, 88(18), 184422. (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Rosenberger)</strong></dt><dd><p>Rosenberger, Sanyal, Shell and van der Vegt, Journal of Chemical Physics, 2019, 151 (4), 044111.</p>
|
||
</dd>
|
||
<dt><strong>(Rubensson)</strong></dt><dd><p>E. H. Rubensson, A. M. N. Niklasson, SIAM J. Sci. Comput. 36 (2), 147-170, (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Rutherford)</strong></dt><dd><p>A M Rutherford and D M Duffy, J. Phys.: Condens. Matter, 19, 496201-496210 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Ryckaert)</strong></dt><dd><p>J.-P. Ryckaert, G. Ciccotti and H. J. C. Berendsen, J of Comp Phys, 23, 327-341 (1977).</p>
|
||
</dd>
|
||
<dt><strong>(SMTB-Q_1)</strong></dt><dd><p>N. Salles, O. Politano, E. Amzallag, R. Tetot, Comput. Mater. Sci. 111 (2016) 181-189</p>
|
||
</dd>
|
||
<dt><strong>(SMTB-Q_2)</strong></dt><dd><p>E. Maras, N. Salles, R. Tetot, T. Ala-Nissila, H. Jonsson, J. Phys. Chem. C 2015, 119, 10391-10399</p>
|
||
</dd>
|
||
<dt><strong>(SMTB-Q_3)</strong></dt><dd><p>R. Tetot, N. Salles, S. Landron, E. Amzallag, Surface Science 616, 19-8722 28 (2013)</p>
|
||
</dd>
|
||
<dt><strong>(SRIM)</strong></dt><dd><p>SRIM webpage: <a class="reference external" href="http://www.srim.org/">http://www.srim.org/</a></p>
|
||
</dd>
|
||
<dt><strong>(SW)</strong></dt><dd><p>F. H. Stillinger, and T. A. Weber, Phys. Rev. B, 31, 5262 (1985).</p>
|
||
</dd>
|
||
<dt><strong>(SWM4-NDP)</strong></dt><dd><p>Lamoureux, Harder, Vorobyov, Roux, MacKerell, Chem Phys Let, 418, 245-249 (2006)</p>
|
||
</dd>
|
||
<dt><strong>(Sadigh)</strong></dt><dd><p>B Sadigh, P Erhart, A Stukowski, A Caro, E Martinez, and L Zepeda-Ruiz, Phys. Rev. B, 85, 184203 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Sadigh1)</strong></dt><dd><ol class="upperalpha simple" start="2">
|
||
<li><p>Sadigh, P. Erhart, A. Stukowski, A. Caro, E. Martinez, and L. Zepeda-Ruiz, Phys. Rev. B <strong>85</strong>, 184203 (2012)</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Sadigh2)</strong></dt><dd><ol class="upperalpha simple" start="2">
|
||
<li><p>Sadigh and P. Erhart, Phys. Rev. B <strong>86</strong>, 134204 (2012)</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Safran)</strong></dt><dd><p>Safran, Statistical Thermodynamics of Surfaces, Interfaces, And Membranes, Westview Press, ISBN: 978-0813340791 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Salanne)</strong></dt><dd><p>Salanne, Rotenberg, Jahn, Vuilleumier, Simon, Christian and Madden, Theor Chem Acc, 131, 1143 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Salerno)</strong></dt><dd><p>Salerno, Bernstein, J Chem Theory Comput, –, —- (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Sanyal1)</strong></dt><dd><p>Sanyal and Shell, Journal of Chemical Physics, 2016, 145 (3), 034109.</p>
|
||
</dd>
|
||
<dt><strong>(Sanyal2)</strong></dt><dd><p>Sanyal and Shell, Journal of Physical Chemistry B, 122 (21), 5678-5693.</p>
|
||
</dd>
|
||
<dt><strong>(Scalfi)</strong></dt><dd><p>Scalfi <em>et al.</em>, J. Chem. Phys., 153, 174704 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Schelling)</strong></dt><dd><p>Patrick K. Schelling, Comp. Mat. Science, 44, 274 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Scherer1)</strong></dt><dd><ol class="upperalpha simple" start="3">
|
||
<li><p>Scherer and D. Andrienko, Phys. Chem. Chem. Phys. 20, 22387-22394 (2018).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Scherer2)</strong></dt><dd><ol class="upperalpha simple" start="3">
|
||
<li><p>Scherer, R. Scheid, D. Andrienko, and T. Bereau, J. Chem. Theor. Comp. 16, 3194-3204 (2020).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Schlitter1)</strong></dt><dd><p>Schlitter, Swegat, Mulders, “Distance-type reaction coordinates for modelling activated processes”, J Molecular Modeling, 7, 171-177 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Schlitter2)</strong></dt><dd><p>Schlitter and Klahn, “The free energy of a reaction coordinate at multiple constraints: a concise formulation”, Molecular Physics, 101, 3439-3443 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Schmid)</strong></dt><dd><p>S. Bureekaew, S. Amirjalayer, M. Tafipolsky, C. Spickermann, T.K. Roy and R. Schmid, Phys. Status Solidi B, 6, 1128 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Schneider)</strong></dt><dd><p>Schneider and Stoll, Phys Rev B, 17, 1302 (1978).</p>
|
||
</dd>
|
||
<dt><strong>(Schratt & Mohles)</strong></dt><dd><p>Schratt, Mohles. Comp. Mat. Sci. 182 (2020) 109774 ———-</p>
|
||
</dd>
|
||
<dt><strong>(Schroeder)</strong></dt><dd><p>Schroeder and Steinhauser, J Chem Phys, 133, 154511 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Seleson 2010)</strong></dt><dd><p>Seleson, Parks, Int J Mult Comp Eng 9(6), pp. 689-706, 2011.</p>
|
||
</dd>
|
||
<dt><strong>(Semaev)</strong></dt><dd><p>Semaev, Cryptography and Lattices, 181 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Seo)</strong></dt><dd><p>Seo, Shinoda, J Chem Theory Comput, 15, 762-774 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Sheppard)</strong></dt><dd><p>Sheppard, Terrell, Henkelman, J Chem Phys, 128, 134106 (2008). See ref 1 in this paper for original reference to Qmin in Jonsson, Mills, Jacobsen.</p>
|
||
</dd>
|
||
<dt><strong>(Shi)</strong></dt><dd><p>Shi, Xia, Zhang, Best, Wu, Ponder, Ren, J Chem Theory Comp, 9, 4046, 2013.</p>
|
||
</dd>
|
||
<dt><strong>(Shinoda)</strong></dt><dd><p>Shinoda, DeVane, Klein, Mol Sim, 33, 27 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Shinoda)</strong></dt><dd><p>Shinoda, Shiga, and Mikami, Phys Rev B, 69, 134103 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Shire)</strong></dt><dd><p>Shire, Hanley and Stratford, Comp. Part. Mech., (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Sides)</strong></dt><dd><p>Sides, Grest, Stevens, Plimpton, J Polymer Science B, 42, 199-208 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Siepmann)</strong></dt><dd><p>Siepmann and Sprik, J. Chem. Phys. 102, 511 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Silbert)</strong></dt><dd><p>Silbert, Ertas, Grest, Halsey, Levine, Plimpton, Phys Rev E, 64, p 051302 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Silbert, 2001)</strong></dt><dd><p>Silbert, L. E., Ertas, D., Grest, G. S., Halsey, T. C., Levine, D., & Plimpton, S. J. (2001). Granular flow down an inclined plane: Bagnold scaling and rheology. Physical Review E,</p>
|
||
</dd>
|
||
<dt><strong>(Silling 2000)</strong></dt><dd><p>Silling, J Mech Phys Solids, 48, 175-209 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Silling 2005)</strong></dt><dd><p>Silling Askari, Computer and Structures, 83, 1526-1535 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Silling 2007)</strong></dt><dd><p>Silling, Epton, Weckner, Xu, Askari, J Elasticity, 88, 151-184 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Singh)</strong></dt><dd><p>Singh and Warner, Acta Mater, 58, 5797-5805 (2010),</p>
|
||
</dd>
|
||
<dt><strong>(Singraber, Behler and Dellago 2019)</strong></dt><dd><p>Singraber, A.; Behler, J.; Dellago, C. J., Chem. Theory Comput. 2019, 15 (3), 1827-1840</p>
|
||
</dd>
|
||
<dt><strong>(Singraber et al 2019)</strong></dt><dd><p>Singraber, A.; Morawietz, T.; Behler, J.; Dellago, C., J. Chem. Theory Comput. 2019, 15 (5), 3075-3092.</p>
|
||
</dd>
|
||
<dt><strong>(Sirk1)</strong></dt><dd><p>Sirk TW, Sliozberg YR, Brennan JK, Lisal M, Andzelm JW, J Chem Phys, 136 (13) 134903, 2012.</p>
|
||
</dd>
|
||
<dt><strong>(Sirk2)</strong></dt><dd><p>Sirk, Moore, Brown, J Chem Phys, 138, 064505 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Skomski)</strong></dt><dd><p>Skomski, R. (2008). Simple models of magnetism. Oxford University Press.</p>
|
||
</dd>
|
||
<dt><strong>(Snodin)</strong></dt><dd><p>B.E. Snodin, F. Randisi, M. Mosayebi, et al., J. Chem. Phys. 142, 234901 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Son)</strong></dt><dd><p>Son, McDaniel, Cui and Yethiraj, J Phys Chem Lett, 10, 7523 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Srivastava)</strong></dt><dd><p>Zhigilei, Wei, Srivastava, Phys. Rev. B 71, 165417 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Steinbach)</strong></dt><dd><p>Steinbach, Brooks, J Comput Chem, 15, 667 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Steinhardt)</strong></dt><dd><p>P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983).</p>
|
||
</dd>
|
||
<dt><strong>(Steward)</strong></dt><dd><p>Stewart, Spearot, Modelling Simul. Mater. Sci. Eng. 21, 045003, (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Stewart2018)</strong></dt><dd><p>J.A. Stewart, et al. (2018) Journal of Applied Physics, 123(16), 165902.</p>
|
||
</dd>
|
||
<dt><strong>(Stiles)</strong></dt><dd><p>Stiles , Hubbard, and Kayser, J Chem Phys, 77, 6189 (1982).</p>
|
||
</dd>
|
||
<dt><strong>(Stillinger)</strong></dt><dd><p>Stillinger, Weber, Phys. Rev. B 31, 5262 (1985).</p>
|
||
</dd>
|
||
<dt><strong>(Stoddard)</strong></dt><dd><p>Stoddard and Ford, Phys Rev A, 8, 1504 (1973).</p>
|
||
</dd>
|
||
<dt><strong>(Streitz)</strong></dt><dd><p>F. H. Streitz, J. W. Mintmire, Phys Rev B, 50, 11996-12003 (1994).</p>
|
||
</dd>
|
||
<dt><strong>(Strong)</strong></dt><dd><p>Strong and Eaves, J. Phys. Chem. B 121, 189 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Stuart)</strong></dt><dd><p>Stuart, Tutein, Harrison, J Chem Phys, 112, 6472-6486 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Stukowski)</strong></dt><dd><p>Stukowski, Sadigh, Erhart, Caro; Modeling Simulation Materials Science & Engineering, 7, 075005 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Su)</strong></dt><dd><p>Su and Goddard, Excited Electron Dynamics Modeling of Warm Dense Matter, Phys Rev Lett, 99:185003 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Sulc1)</strong></dt><dd><p>P. Sulc, F. Romano, T. E. Ouldridge, et al., J. Chem. Phys. 140, 235102 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Sulc2)</strong></dt><dd><p>P. Sulc, F. Romano, T.E. Ouldridge, L. Rovigatti, J.P.K. Doye, A.A. Louis, J. Chem. Phys. 137, 135101 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Sun)</strong></dt><dd><p>Sun, J. Phys. Chem. B, 102, 7338-7364 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Surblys2019)</strong></dt><dd><p>Surblys, Matsubara, Kikugawa, Ohara, Phys Rev E, 99, 051301(R) (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Surblys2021)</strong></dt><dd><p>Surblys, Matsubara, Kikugawa, Ohara, J Appl Phys 130, 215104 (2021).</p>
|
||
</dd>
|
||
<dt><strong>(Sutmann)</strong></dt><dd><p>Sutmann, Arnold, Fahrenberger, et. al., Physical review / E 88(6), 063308 (2013)</p>
|
||
</dd>
|
||
<dt><strong>(Sutmann)</strong> G. Sutmann. ScaFaCoS - a Scalable library of Fast Coulomb Solvers for particle Systems.</dt><dd><p>In Bajaj, Zavattieri, Koslowski, Siegmund, Proceedings of the Society of Engineering Science 51st Annual Technical Meeting. 2014.</p>
|
||
</dd>
|
||
<dt><strong>(Swinburne)</strong></dt><dd><p>Swinburne and Marinica, Physical Review Letters, 120, 1 (2018)</p>
|
||
</dd>
|
||
<dt><strong>(Tadmor)</strong></dt><dd><p>Tadmor, Elliott, Sethna, Miller and Becker, JOM, 63, 17 (2011). doi: <a class="reference external" href="https://doi.org/10.1007/s11837-011-0102-6">https://doi.org/10.1007/s11837-011-0102-6</a></p>
|
||
</dd>
|
||
<dt><strong>(Tainter 2011)</strong></dt><dd><p>Tainter, Pieniazek, Lin, and Skinner, J. Chem. Phys., 134, 184501 (2011)</p>
|
||
</dd>
|
||
<dt><strong>(Tainter 2015)</strong></dt><dd><p>Tainter, Shi, and Skinner, 11, 2268 (2015)</p>
|
||
</dd>
|
||
<dt><strong>(Tang and Toennies)</strong></dt><dd><p>J Chem Phys, 80, 3726 (1984).</p>
|
||
</dd>
|
||
<dt><strong>(Tee)</strong></dt><dd><p>Tee and Searles, J. Chem. Phys. 156, 184101 (2022).</p>
|
||
</dd>
|
||
<dt><strong>(Templeton2010)</strong></dt><dd><p>Templeton, JA; Jones, RE; Wagner, GJ, “Application of a field-based method to spatially varying thermal transport problems in molecular dynamics.” Modelling and Simulation in Materials Science and Engineering (2010), 18:085007.</p>
|
||
</dd>
|
||
<dt><strong>(Templeton2011)</strong></dt><dd><p>Templeton, JA; Jones, RE; Lee, JW; Zimmerman, JA; Wong, BM, “A long-range electric field solver for molecular dynamics based on atomistic-to-continuum modeling.” Journal of Chemical Theory and Computation (2011), 7:1736.</p>
|
||
</dd>
|
||
<dt><strong>(tenWolde)</strong></dt><dd><p>P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996).</p>
|
||
</dd>
|
||
<dt><strong>(Tersoff_1)</strong></dt><dd><p>J. Tersoff, Phys Rev B, 37, 6991 (1988).</p>
|
||
</dd>
|
||
<dt><strong>(Tersoff_2)</strong></dt><dd><p>J. Tersoff, Phys Rev B, 38, 9902 (1988).</p>
|
||
</dd>
|
||
<dt><strong>(Tersoff_3)</strong></dt><dd><p>J. Tersoff, Phys Rev B, 39, 5566 (1989); errata (PRB 41, 3248)</p>
|
||
</dd>
|
||
<dt><strong>(Theodorou)</strong></dt><dd><p>Theodorou, Suter, Macromolecules, 18, 1206 (1985).</p>
|
||
</dd>
|
||
<dt><strong>(Thole)</strong></dt><dd><p>Chem Phys, 59, 341 (1981).</p>
|
||
</dd>
|
||
<dt><strong>(Thompson1)</strong></dt><dd><p>Thompson, Plimpton, Mattson, J Chem Phys, 131, 154107 (2009).</p>
|
||
</dd>
|
||
<dt><strong>(Thompson2)</strong></dt><dd><p>Thompson, Swiler, Trott, Foiles, Tucker, J Comp Phys, 285, 316 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Thornton et al, 2013)</strong></dt><dd><p>Thornton, C., Cummins, S. J., & Cleary, P. W. (2013). An investigation of the comparative behavior of alternative contact force models during inelastic collisions. Powder</p>
|
||
</dd>
|
||
<dt><strong>(Thornton, 1991)</strong></dt><dd><p>Thornton, C. (1991). Interparticle sliding in the presence of adhesion. J. Phys. D: Appl. Phys. 24 1942</p>
|
||
</dd>
|
||
<dt><strong>(To)</strong></dt><dd><p>Q.D. To, V.H. Vu, G. Lauriat, and C. Leonard. J. Math. Phys. 56, 103101 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Todd)</strong></dt><dd><p>B. D. Todd, Denis J. Evans, and Peter J. Daivis: “Pressure tensor for inhomogeneous fluids”, Phys. Rev. E 52, 1627 (1995).</p>
|
||
</dd>
|
||
<dt><strong>(Toukmaji)</strong></dt><dd><p>Toukmaji, Sagui, Board, and Darden, J Chem Phys, 113, 10913 (2000).</p>
|
||
</dd>
|
||
<dt><strong>(Toxvaerd)</strong></dt><dd><p>Toxvaerd, Dyre, J Chem Phys, 134, 081102 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Tranchida)</strong></dt><dd><p>Tranchida, Plimpton, Thibaudeau and Thompson, Journal of Computational Physics, 372, 406-425, (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Tribello)</strong></dt><dd><p>G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014)</p>
|
||
</dd>
|
||
<dt><strong>(Tsuji et al, 1992)</strong></dt><dd><p>Tsuji, Y., Tanaka, T., & Ishida, T. (1992). Lagrangian numerical simulation of plug flow of cohesionless particles in a horizontal pipe. Powder technology, 71(3),</p>
|
||
</dd>
|
||
<dt><strong>(Tsuzuki)</strong></dt><dd><p>Tsuzuki, Branicio, Rino, Comput Phys Comm, 177, 518 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Tuckerman1)</strong></dt><dd><p>M. Tuckerman and B. Berne, J Chem Phys, 99, 2796 (1993).</p>
|
||
</dd>
|
||
<dt><strong>(Tuckerman2)</strong></dt><dd><p>Tuckerman, Alejandre, Lopez-Rendon, Jochim, and Martyna, J Phys A: Math Gen, 39, 5629 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(Tuckerman3)</strong></dt><dd><p>Tuckerman, Berne and Martyna, J Chem Phys, 97, p 1990 (1992).</p>
|
||
</dd>
|
||
<dt><strong>(Tuckerman4)</strong></dt><dd><p>Tuckerman, Mundy, Balasubramanian, Klein, J Chem Phys, 106, 5615 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Tyagi)</strong></dt><dd><p>Tyagi, Suzen, Sega, Barbosa, Kantorovich, Holm, J Chem Phys, 132, 154112 (2010)</p>
|
||
</dd>
|
||
<dt><strong>(Ulomek)</strong></dt><dd><p>Ulomek, Brien, Foiles, Mohles, Modelling Simul. Mater. Sci. Eng. 23 (2015) 025007</p>
|
||
</dd>
|
||
<dt><strong>(Vaiwala)</strong></dt><dd><p>Vaiwala, Jadhav, and Thaokar, J Chem Phys, 146, 124904 (2017).</p>
|
||
</dd>
|
||
<dt><strong>(Valone)</strong></dt><dd><p>Valone, Baskes, Martin, Phys. Rev. B, 73, 214209 (2006).</p>
|
||
</dd>
|
||
<dt><strong>(vanWijk)</strong></dt><dd><ol class="upperalpha simple" start="13">
|
||
<li><ol class="upperalpha simple" start="13">
|
||
<li><p>van Wijk, A. Schuring, M. I. Katsnelson, and A. Fasolino, Physical Review Letters, 113, 135504 (2014)</p></li>
|
||
</ol>
|
||
</li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Van Workum)</strong></dt><dd><ol class="upperalpha simple" start="11">
|
||
<li><p>Van Workum et al., J. Chem. Phys. 125 144506 (2006)</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Vargas and McCarthy 2001)</strong></dt><dd><p>Vargas, W.L. and McCarthy, J.J. (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Varshalovich)</strong></dt><dd><p>Varshalovich, Moskalev, Khersonskii, Quantum Theory of Angular Momentum, World Scientific, Singapore (1987).</p>
|
||
</dd>
|
||
<dt><strong>(Vashishta1990)</strong></dt><dd><p>P. Vashishta, R. K. Kalia, J. P. Rino, Phys. Rev. B 41, 12197 (1990).</p>
|
||
</dd>
|
||
<dt><strong>(Vashishta2007)</strong></dt><dd><p>P. Vashishta, R. K. Kalia, A. Nakano, J. P. Rino. J. Appl. Phys. 101, 103515 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Veld)</strong></dt><dd><p>In ‘t Veld, Ismail, Grest, J Chem Phys, 127, 144711 (2007).</p>
|
||
</dd>
|
||
<dt><strong>(Verstraelen)</strong></dt><dd><p>Verstraelen, Ayers, Speybroeck, Waroquier, J. Chem. Phys. 138, 074108 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Volkov1)</strong></dt><dd><p>Volkov and Zhigilei, J Phys Chem C, 114, 5513 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Volkov2)</strong></dt><dd><p>Volkov, Simov and Zhigilei, APS Meeting Abstracts, Q31.013 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Voter1998)</strong></dt><dd><p>Voter, Phys Rev B, 57, 13985 (1998).</p>
|
||
</dd>
|
||
<dt><strong>(Voter2000)</strong></dt><dd><p>Sorensen and Voter, J Chem Phys, 112, 9599 (2000)</p>
|
||
</dd>
|
||
<dt><strong>(Voter2002)</strong></dt><dd><p>Voter, Montalenti, Germann, Annual Review of Materials Research 32, 321 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Voter2013)</strong></dt><dd><p>S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139, 144110 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Wagner)</strong></dt><dd><p>Wagner, GJ; Jones, RE; Templeton, JA; Parks, MA, “An atomistic-to-continuum coupling method for heat transfer in solids.” Special Issue of Computer Methods and Applied Mechanics (2008) 197:3351.</p>
|
||
</dd>
|
||
<dt><strong>(Wang et al, 2015)</strong></dt><dd><p>Wang, Y., Alonso-Marroquin, F., & Guo, W. W. (2015). Rolling and sliding in 3-D discrete element models. Particuology, 23, 49-55.</p>
|
||
</dd>
|
||
<dt><strong>(Wang2020)</strong></dt><dd><ol class="upperalpha simple" start="24">
|
||
<li><p>Wang, S. Ramirez-Hinestrosa, J. Dobnikar, and D. Frenkel, Phys. Chem. Chem. Phys. 22, 10624 (2020).</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Wang1)</strong></dt><dd><p>J. Wang, H. S. Yu, P. A. Langston, F. Y. Fraige, Granular Matter, 13, 1 (2011).</p>
|
||
</dd>
|
||
<dt><strong>(Wang2)</strong></dt><dd><p>J. Wang, and A. Rockett, Phys. Rev. B, 43, 12571 (1991).</p>
|
||
</dd>
|
||
<dt><strong>(Wang3)</strong></dt><dd><p>Wang and Holm, J Chem Phys, 115, 6277 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Wang4)</strong></dt><dd><p>Wang, Van Hove, Ross, Baskes, J. Chem. Phys., 121, 5410 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Ward)</strong></dt><dd><p>D.K. Ward, X.W. Zhou, B.M. Wong, F.P. Doty, and J.A. Zimmerman, Phys. Rev. B, 85,115206 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Warren)</strong></dt><dd><p>Warren, Phys Rev E, 68, 066702 (2003).</p>
|
||
</dd>
|
||
<dt><strong>(Watkins)</strong></dt><dd><p>Watkins and Jorgensen, J Phys Chem A, 105, 4118-4125 (2001).</p>
|
||
</dd>
|
||
<dt><strong>(Weeks)</strong></dt><dd><p>Weeks, Chandler and Andersen, J. Chem. Phys., 54, 5237 (1971)</p>
|
||
</dd>
|
||
<dt><strong>(WeinanE)</strong></dt><dd><p>E, Ren, Vanden-Eijnden, Phys Rev B, 66, 052301 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Wen)</strong></dt><dd><p>M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor, Phys. Rev. B, 98, 235404 (2018)</p>
|
||
</dd>
|
||
<dt><strong>(Wennberg)</strong></dt><dd><p>Wennberg, Murtola, Hess, Lindahl, J Chem Theory Comput, 9, 3527 (2013).</p>
|
||
</dd>
|
||
<dt><strong>(Wicaksono1)</strong></dt><dd><p>Wicaksono, Sinclair, Militzer, Computational Materials Science, 117, 397-405 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Wicaksono2)</strong></dt><dd><p>Wicaksono, figshare, <a class="reference external" href="https://doi.org/10.6084/m9.figshare.1488628.v1">https://doi.org/10.6084/m9.figshare.1488628.v1</a> (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Winkler)</strong></dt><dd><p>Winkler, Wysocki, and Gompper, Soft Matter, 11, 6680 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Wirnsberger)</strong></dt><dd><p>Wirnsberger, Frenkel, and Dellago, J Chem Phys, 143, 124104 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Wolf)</strong></dt><dd><p>D. Wolf, P. Keblinski, S. R. Phillpot, J. Eggebrecht, J Chem Phys, 110, 8254 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Wolff)</strong></dt><dd><p>Wolff and Rudd, Comp Phys Comm, 120, 200-32 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Wood)</strong></dt><dd><p>Wood and Thompson, J Chem Phys, 148, 241721, (2018)</p>
|
||
</dd>
|
||
<dt><strong>(Xie23)</strong></dt><dd><p>Xie, S.R., Rupp, M. & Hennig, R.G. Ultra-fast interpretable machine-learning potentials. npj Comput Mater 9, 162 (2023). <a class="reference external" href="https://doi.org/10.1038/s41524-023-01092-7">https://doi.org/10.1038/s41524-023-01092-7</a></p>
|
||
</dd>
|
||
<dt><strong>(Yade-DEM)</strong></dt><dd><ol class="upperalpha simple" start="22">
|
||
<li><p>Smilauer et al. (2021), Yade Documentation 3rd ed.</p></li>
|
||
</ol>
|
||
</dd>
|
||
<dt><strong>(Yanxon2020)</strong></dt><dd><p>Yanxon, Zagaceta, Tang, Matteson, Zhu, Mach. Learn.: Sci. Technol. 2, 027001 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Yeh)</strong></dt><dd><p>Yeh and Berkowitz, J Chem Phys, 111, 3155 (1999).</p>
|
||
</dd>
|
||
<dt><strong>(Yuan2010a)</strong></dt><dd><p>Yuan, Huang, Li, Lykotrafitis, Zhang, Phys. Rev. E, 82, 011905(2010).</p>
|
||
</dd>
|
||
<dt><strong>(Yuan2010b)</strong></dt><dd><p>Yuan, Huang, Zhang, Soft. Matter, 6, 4571(2010).</p>
|
||
</dd>
|
||
<dt><strong>(Zagaceta2020)</strong></dt><dd><p>Zagaceta, Yanxon, Zhu, J Appl Phys, 128, 045113 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(ZBL)</strong></dt><dd><p>J.F. Ziegler, J.P. Biersack, U. Littmark, ‘Stopping and Ranges of Ions in Matter’ Vol 1, 1985, Pergamon Press.</p>
|
||
</dd>
|
||
<dt><strong>(Zhang1)</strong></dt><dd><p>Zhang and Makse, Phys Rev E, 72, p 011301 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Zhang2)</strong></dt><dd><p>Zhang and Trinkle, Computational Materials Science, 124, 204-210 (2016).</p>
|
||
</dd>
|
||
<dt><strong>(Zhang3)</strong></dt><dd><p>Zhang, Glotzer, Nanoletters, 4, 1407-1413 (2004).</p>
|
||
</dd>
|
||
<dt><strong>(Zhang4)</strong></dt><dd><p>Zhang, J Chem Phys, 106, 6102 (1997).</p>
|
||
</dd>
|
||
<dt><strong>(Zhang5)</strong></dt><dd><p>Zhang, Lussetti, de Souza, Muller-Plathe, J Phys Chem B, 109, 15060-15067 (2005).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei1)</strong></dt><dd><p>Volkov and Zhigilei, ACS Nano 4, 6187 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei2)</strong></dt><dd><p>Volkov, Simov, Zhigilei, ASME paper IMECE2008, 68021 (2008).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei3)</strong></dt><dd><p>Volkov, Zhigilei, J. Phys. Chem. C 114, 5513 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei4)</strong></dt><dd><p>Wittmaack, Banna, Volkov, Zhigilei, Carbon 130, 69 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei5)</strong></dt><dd><p>Wittmaack, Volkov, Zhigilei, Compos. Sci. Technol. 166, 66 (2018).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei6)</strong></dt><dd><p>Wittmaack, Volkov, Zhigilei, Carbon 143, 587 (2019).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei7)</strong></dt><dd><p>Volkov, Zhigilei, Phys. Rev. Lett. 104, 215902 (2010).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei8)</strong></dt><dd><p>Volkov, Shiga, Nicholson, Shiomi, Zhigilei, J. Appl. Phys. 111, 053501 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei9)</strong></dt><dd><p>Volkov, Zhigilei, Appl. Phys. Lett. 101, 043113 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Zhigilei10)</strong></dt><dd><p>Jacobs, Nicholson, Zemer, Volkov, Zhigilei, Phys. Rev. B 86, 165414 (2012).</p>
|
||
</dd>
|
||
<dt><strong>(Zhou1)</strong></dt><dd><p>Zhou, Saidi, Fichthorn, J Phys Chem C, 118(6), 3366-3374 (2014).</p>
|
||
</dd>
|
||
<dt><strong>(Zhou3)</strong></dt><dd><p>X. W. Zhou, M. E. Foster, R. E. Jones, P. Yang, H. Fan, and F. P. Doty, J. Mater. Sci. Res., 4, 15 (2015).</p>
|
||
</dd>
|
||
<dt><strong>(Zhou4)</strong></dt><dd><p>X. W. Zhou, M. E. Foster, J. A. Ronevich, and C. W. San Marchi, J. Comp. Chem., 41, 1299 (2020).</p>
|
||
</dd>
|
||
<dt><strong>(Zhu)</strong></dt><dd><p>Zhu, Tajkhorshid, and Schulten, Biophys. J. 83, 154 (2002).</p>
|
||
</dd>
|
||
<dt><strong>(Ziegler)</strong></dt><dd><p>J.F. Ziegler, J. P. Biersack and U. Littmark, “The Stopping and Range of Ions in Matter”, Volume 1, Pergamon, 1985.</p>
|
||
</dd>
|
||
<dt><strong>(Zimmerman2004)</strong></dt><dd><p>Zimmerman, JA; Webb, EB; Hoyt, JJ;. Jones, RE; Klein, PA; Bammann, DJ, “Calculation of stress in atomistic simulation.” Special Issue of Modelling and Simulation in Materials Science and Engineering (2004),12:S319.</p>
|
||
</dd>
|
||
<dt><strong>(Zimmerman2010)</strong></dt><dd><p>Zimmerman, JA; Jones, RE; Templeton, JA, “A material frame approach for evaluating continuum variables in atomistic simulations.” Journal of Computational Physics (2010), 229:2364.</p>
|
||
</dd>
|
||
<dt><strong>(electronic stopping)</strong></dt><dd><p>Wikipedia - Electronic Stopping Power: <a class="reference external" href="https://en.wikipedia.org/wiki/Stopping_power_%28particle_radiation%29">https://en.wikipedia.org/wiki/Stopping_power_%28particle_radiation%29</a></p>
|
||
</dd>
|
||
</dl>
|
||
</section>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
<footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
|
||
<a href="atc_write_restart.html" class="btn btn-neutral float-left" title="fix_modify AtC write_restart command" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
|
||
</div>
|
||
|
||
<hr/>
|
||
|
||
<div role="contentinfo">
|
||
<p>© Copyright 2003-2025 Sandia Corporation.</p>
|
||
</div>
|
||
|
||
Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
|
||
<a href="https://github.com/readthedocs/sphinx_rtd_theme">theme</a>
|
||
provided by <a href="https://readthedocs.org">Read the Docs</a>.
|
||
|
||
|
||
</footer>
|
||
</div>
|
||
</div>
|
||
</section>
|
||
</div>
|
||
<script>
|
||
jQuery(function () {
|
||
SphinxRtdTheme.Navigation.enable(false);
|
||
});
|
||
</script>
|
||
|
||
</body>
|
||
</html> |