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simongravelle committed Dec 26, 2023
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -13,7 +13,7 @@ It comes with a good looking dark mode:

[![image](https://user-images.githubusercontent.com/43388542/216845058-77fe9c11-5086-494f-b83d-83d26c252a5b.png)](https://simongravelle.github.io/)

Feel free to use the template, it is originaly
Feel free to use the template, it is originally
from [wowchemy](https://wowchemy.com/), with some custom css
adapted from [nickballousite](https://github.com/nballou) webpage.

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Expand Up @@ -53,9 +53,9 @@ social:
icon_pack: fab
link: https://twitter.com/GravelleSimon
label: Follow me on Twitter
- icon: mastodon
icon_pack: fab
link: https://mastodon.social/@simongravelle
#- icon: mastodon
# icon_pack: fab
# link: https://mastodon.social/@simongravelle
- icon: graduation-cap
icon_pack: fas
link: https://scholar.google.com/citations?user=9fD2JlYAAAAJ&hl=fr
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icon_pack: ai
link: files/cv/cv.pdf

# Enter email to display Gravatar (if Gravatar enabled in Config)
email: ''

# Highlight the author in author lists? (true/false)
highlight_name: true
---

**About me**

I am a physicist in soft matter and fluids at interfaces at [LIPhy](https://liphy.univ-grenoble-alpes.fr/) in Grenoble (France). In 2022 I received a [MSCA](https://marie-sklodowska-curie-actions.ec.europa.eu/) grant (*NanoSep*) to study the demixing of fluid mixtures by hybrid nanoporous materials, and I will soon be working at [CNRS](https://www.cnrs.fr/).
I am a physicist in soft matter and fluids at interfaces at [LIPhy](https://liphy.univ-grenoble-alpes.fr/)
in Grenoble (France). In 2022 I received a [MSCA](https://marie-sklodowska-curie-actions.ec.europa.eu/)
grant (*NanoSep*) to study the demixing of fluid mixtures by hybrid nanoporous materials, and I will
soon be working at [CNRS](https://www.cnrs.fr/).

**Open source and open data**

* [MAICoS](https://maicos-devel.gitlab.io/maicos/index.html), a Python toolkit for analyzing confined molecular simulations
* [NMRforMD](https://nmrformd.readthedocs.io), a Python script for calculating hydrogen NMR relaxation rates from molecular dynamics simulations
* [Github](https://github.com/simongravelle/) repository containing molecular simulation scripts and data
All code developed as part of my research is open source and available on public repositories, see for instance
[NMRforMD](https://nmrformd.readthedocs.io), a Python script for calculating hydrogen NMR relaxation rates from molecular dynamics simulations,
or my [Github](https://github.com/simongravelle/) repository containing molecular simulation scripts and data.
In parallel, I have been involved in the development of [MAICoS](https://maicos-devel.gitlab.io/maicos/index.html),
a Python toolkit for analyzing confined molecular simulations.

**Outreach**

* [LAMMPS tutorials](https://lammpstutorials.github.io) for beginners and advanced LAMMPS users
* [GROMACS tutorials](https://gromacstutorials.github.io) for beginners and advanced GROMACS users
* [gallery of animations](https://www.youtube.com/@SimonGravelle) of molecular systems
In parallel to my research activities, I am developing several outreach projects. The most advanced
among my current projects are the [LAMMPS tutorials](https://lammpstutorials.github.io).
I also wrote [GROMACS tutorials](https://gromacstutorials.github.io), and manage a
[gallery of animations](https://www.youtube.com/@SimonGravelle), along with creating
[molecular art](https://simongravelle.github.io/gallery/).
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---
active: true
active: false
widget: portfolio
headless: true
weight: 35
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