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<!DOCTYPE html>
<html>
<head>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, initial-scale=1">
<title>Whitmer Group @ ND</title>
<link rel="stylesheet" href="style.css">
</head>
<body>
<div id="wrap">
<div id="header">
<h1>
<a href="index.html">Whitmer Research Group</a>
</h1>
<h2> Soft Materials Modeling and Computation</h2>
<h3>
<a href="http://cbe.nd.edu"> Department of Chemical and Biomolecular Engineering</a>
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<a href="http://engineering.nd.edu"> College of Engineering </a>
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<a href="http://www.nd.edu">University of Notre Dame</a>
</h3>
</div>
<div id="menu">
<a href="index.html">Projects</a>
<a href="papers.html">Papers</a>
<a href="positions.html">Positions</a>
<a href="people.html">People</a>
<a href="pictures.html">Pictures</a>
<a href="codes.html">Codes</a>
<a href="community.html">Community</a>
<a href="contact.html">Contact</a>
</div>
<div id="content">
<h2>Open Source Simulation Codes</h2> <br>
<p> The Whitmer group and its members are involved in the development of several open source codes. The primary group product is <a href="">SSAGES</a>, a suite of codes which performs free energy and reactive path calculations in Molecular Dynamics (MD) simulations. Development of this code is funded by the Department of Energy, Office of Science, Basic Energy Sciences Division through the <a href="http://miccom-center.org">MICCoM</a> Center. </p> <br>
<p> The open source code <a href="">SAPHRON</a>, developed by group member Hythem Sidky and contributed to by several current and former group members, performs general purpose Monte Carlo routines in various ensembles, includes methods for Wang-Landau and extended ensemble density of states (ExEDOS) calculations, and enables coupling of reaction-move Monte Carlo (RxMC) and Grand Canonical Monte Carlo (GCMC) to LAMMPS. This code is utilized extensively in our studies of weak polyelectrolyte phase behavior.</p> <br>
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</body>
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