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gettingstarted.html
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<!doctype html>
<html lang="en">
<head>
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window.dataLayer = window.dataLayer || [];
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<meta charset="utf-8">
<meta name="viewport" content="width=device-width, initial-scale=1">
<title>Getting Started</title>
<meta name="description" content="GPU Optimized Monte Carlo (GOMC) is open-source software for simulating many-body molecular systems using the Metropolis Monte Carlo algorithm. Capable of running on single and multi-core architecture.">
<meta name="keywords" content="monte carlo,gpu,adsoption,free energy,self assembly,phase equilibrium,vapor liquid,parallel computing,cuda">
<meta name="author" content="Younes Nejahi">
<meta name="application-name" content="GPU Optimized Monte Carlo (GOMC)">
<link rel="shortcut icon" type="image/x-icon" href="images/favicon.ico">
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<body>
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<div class="containerFlexible">
<div class="row">
<div class="column">
<div class="blueBlock">
<p>Manual</p>
</div>
<p class="paragraphBlock">
To learn more about how to run GOMC, and the various, Monte Carlo
moves, force fields, and other simulation capabilities in GOMC,
please refer to our documentation.
</p>
<p class="paragraphBlock">
<a href="https://gomc-wsu.github.io/Manual/">GOMC Manual</a>
</p>
</div>
<div class="column">
<div class="blueBlock">
<p>GOMC Tutorial</p>
</div>
<p class="paragraphBlock">
To learn about how to generate required input files for GOMC in
various ensembles, using
<a href="https://mosdef.org/">Molecular Simulation Design Framework (MoSDeF)</a>,
please refer to our video tutorials.
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/GOMC_Examples/tree/main/MoSDef-GOMC">Tutorial Files</a>
</p>
<p class="paragraphBlock">
<a href="https://www.youtube.com/channel/UCueLGE6tuOyu-mvxIt-U1HQ">Video Tutorials</a>
</p>
</div>
</div>
<div class="row">
<div class="column">
<div class="blueBlock">
<p>GOMC Example Files</p>
</div>
<p class="paragraphBlock">
To help new users to start using GOMC, a few example systems are
provided. These include simulations in the NVT, NPT, GCMC, and Gibbs
Ensembles. The examples can be downloaded or cloned from the GitHub
repository.
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/GOMC_Examples">GOMC Examples</a>
</div>
<div class="column">
<div class="blueBlock">
<p>Workshops</p>
</div>
<p class="paragraphBlock">
We have given a number of workshops on how to use GOMC, two of which
are provided here. Going through the workshop examples is probably
the fastest way to get up and running with GOMC.
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/Workshop">
Two day workshop presented in Universidad Autónoma Metropolitana,
Mexico City, Mexcio.
</a>
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/Workshop/tree/AIChE">
Two hour workshop presented during the 2018 AIChE annual meeting as
part of the Hands on Molecular Simulation workshop.
</a>
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/Workshop/tree/AIChE2019">
Two hour workshop presented during the 2019 AIChE annual meeting as
part of the Hands on Molecular Simulation workshop.
</a>
</p>
</div>
</div>
<div class="row">
<div class="blueBlock">
<p>GOMC High Throughput Screening (HTS)</p>
</div>
<p class="paragraphBlock">
To support the use of GOMC for high throughput screening of metal
organic frameworks (MOFs) for gas adsorption and separation our team
has developed a tool to automatically generate the simulation input
files for more than 7000 MOFs, from structures found in the CoRE-MOFs
database. To download the HTS tool, please refer to HTS repository
on GitHub.
</p>
<p class="paragraphBlock">
<a href="https://github.com/GOMC-WSU/Workshop/tree/HTS">
Automatic simulation file generator for Metal Organic Frameworks (MOFs).
</a>
</div>
</div>
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