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simongravelle committed Apr 21, 2024
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in Grenoble (France). In 2022 I received an <a href=https://marie-sklodowska-curie-actions.ec.europa.eu/ target=_blank rel=noopener>MSCA</a> grant (<em>NanoSep</em>)
to study the demixing of fluid mixtures by hybrid nanoporous materials, and I am
currently a <a href=https://www.cnrs.fr/ target=_blank rel=noopener>CNRS</a> researcher.</p><p><strong>Open source and open data</strong></p><p>All the codes developed as part of my research are shared as open source and available on public repositories, see for instance
<a href=https://nmrformd.readthedocs.io target=_blank rel=noopener>NMRforMD</a>, a Python script for calculating hydrogen NMR relaxation rates from molecular dynamics simulations,
or my <a href=https://github.com/simongravelle/ target=_blank rel=noopener>Github</a> repository containing molecular simulation scripts and data.
In parallel, I have been involved in the development of <a href=https://maicos-devel.gitlab.io/maicos/index.html target=_blank rel=noopener>MAICoS</a>,
a Python toolkit for analyzing confined molecular simulations.</p><p><strong>Outreach</strong></p><p>In parallel to my research activities, I am developing several outreach projects, including
the <a href=https://lammpstutorials.github.io target=_blank rel=noopener>LAMMPS tutorials</a> webpage.
I also wrote <a href=https://gromacstutorials.github.io target=_blank rel=noopener>GROMACS tutorials</a>, a
<a href=https://www.youtube.com/@SimonGravelle target=_blank rel=noopener>gallery of animations</a>, along with creating
<a href=https://simongravelle.github.io/gallery/ target=_blank rel=noopener>molecular art</a>.</p></div></div></div></div></div></div></section><section id=news class="home-section wg-portfolio"><div class=home-section-bg></div><div class=container><div class=row><div class="section-heading col-12 col-lg-4 mb-3 mb-lg-0 d-flex flex-column align-items-center align-items-lg-start"><h1 class=mb-0>Last news</h1></div><div class="col-12 col-lg-8"><span class="d-none default-project-filter">*</span><div class=project-toolbar><div class=project-filters><div class=btn-toolbar><div class="btn-group flex-wrap"><a href=# data-filter=* class="btn btn-primary btn-lg active">All</a>
</a><a href=# class="dropdown-item js-set-theme-auto"><span>Automatic</span></a></div></li></ul></div></nav></header></div><div class=page-body><span class="js-widget-page d-none"></span><section id=about class="home-section wg-about"><div class=home-section-bg></div><div class=container><div class=row><div class="col-12 col-lg-4"><div id=profile><img class="avatar avatar-circle" width=270 height=270 src=./authors/admin/avatar_hu3a1c273149902e1390bb03188d886632_15505_270x270_fill_q75_lanczos_center.jpg alt="Simon Gravelle"><div class=portrait-title><h2>Simon Gravelle</h2><h3>CNRS research scientist, MSCA Fellow</h3><h3><a href=https://liphy.univ-grenoble-alpes.fr/ target=_blank rel=noopener><span>LiPhy, UGA, CNRS</span></a></h3></div><ul class=network-icon aria-hidden=true><li><a href=mailto:[email protected] aria-label=envelope><i class="fas fa-envelope big-icon"></i></a></li><li><a href=https://twitter.com/GravelleSimon target=_blank rel=noopener aria-label=twitter><i class="fab fa-twitter big-icon"></i></a></li><li><a href="https://scholar.google.com/citations?user=9fD2JlYAAAAJ&amp;hl=fr" target=_blank rel=noopener aria-label=graduation-cap><i class="fas fa-graduation-cap big-icon"></i></a></li><li><a href=https://github.com/simongravelle target=_blank rel=noopener aria-label=github><i class="fab fa-github big-icon"></i></a></li><li><a href=./files/cv/cv.pdf aria-label=cv><i class="ai ai-cv big-icon"></i></a></li></ul></div></div><div class="col-12 col-lg-1"></div><div class="col-12 col-lg-7"><div class=vertical-center , align=justify><div class=article-style><div class=main-content><p><strong>About me</strong></p><p>I am a <a href=https://www.cnrs.fr/ target=_blank rel=noopener>CNRS</a> researcher at <a href=https://liphy.univ-grenoble-alpes.fr/ target=_blank rel=noopener>LIPhy</a> in Grenoble, France. I use molecular simulations to study fluids at interfaces and soft matter systems.</p><p><strong>Open source and open data</strong></p><p>I share all the codes developed as part of my research as open source, see for instance:</p><ul><li>my <a href=https://github.com/simongravelle/ target=_blank rel=noopener>Github</a> repository containing molecular simulation scripts and data,</li><li><a href=https://nmrformd.readthedocs.io target=_blank rel=noopener>NMRforMD</a>, a Python script for calculating hydrogen NMR relaxation rates from molecular dynamics simulations,</li></ul><p>In parallel to my open-source projects, I have been involved in the development of <a href=https://maicos-devel.gitlab.io/maicos/index.html target=_blank rel=noopener>MAICoS</a>, a Python toolkit for analyzing confined molecular simulations.</p><p><strong>Outreach</strong></p><p>In parallel to my research activities, I am developing several outreach projects, including:</p><ul><li>the <a href=https://lammpstutorials.github.io target=_blank rel=noopener>LAMMPS tutorials</a> webpage and its associated <a href=https://github.com/lammpstutorials target=_blank rel=noopener>repositories</a>,</li><li>the <a href=https://gromacstutorials.github.io target=_blank rel=noopener>GROMACS tutorials</a> page,</li><li>a <a href=https://www.youtube.com/@SimonGravelle target=_blank rel=noopener>gallery of animations</a> and <a href=https://simongravelle.github.io/gallery/ target=_blank rel=noopener>molecular art</a>.</li></ul></div></div></div></div></div></div></section><section id=news class="home-section wg-portfolio"><div class=home-section-bg></div><div class=container><div class=row><div class="section-heading col-12 col-lg-4 mb-3 mb-lg-0 d-flex flex-column align-items-center align-items-lg-start"><h1 class=mb-0>Last news</h1></div><div class="col-12 col-lg-8"><span class="d-none default-project-filter">*</span><div class=project-toolbar><div class=project-filters><div class=btn-toolbar><div class="btn-group flex-wrap"><a href=# data-filter=* class="btn btn-primary btn-lg active">All</a>
<a href=# data-filter=.js-id-Job class="btn btn-primary btn-lg">Job</a>
<a href=# data-filter=.js-id-Personal class="btn btn-primary btn-lg">Personal</a>
<a href=# data-filter=.js-id-Outreach class="btn btn-primary btn-lg">Outreach</a></div></div></div></div><div class="isotope projects-container row js-layout-row"><div class="col-12 isotope-item js-id-Job"><div class="media stream-item view-compact"><div class=media-body><div class="section-subheading article-title mb-0 mt-0"><a href=./news/2023-phd-offer.html>PhD Position Available in LIPhy (Filled)</a></div><a href=./news/2023-phd-offer.html class=summary-link><div class=article-style>CO2 Capture Using Nanoporous Adsorbents &ndash; A Multiscale Numerical Approach From Molecular Aspects to the Engineering Scale</div></a><div class="stream-meta article-metadata"><div class=article-metadata><span class=article-date>Posted Jul 10, 2023
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