diff --git a/.github/workflows/gh-pages.yml b/.github/workflows/gh-pages.yml index 51d74d05..e4e2c39b 100644 --- a/.github/workflows/gh-pages.yml +++ b/.github/workflows/gh-pages.yml @@ -22,7 +22,7 @@ jobs: - name: Setup Hugo uses: peaceiris/actions-hugo@v2 with: - hugo-version: 0.121.0 + hugo-version: 0.140.2 extended: true - name: Build diff --git a/.gitmodules b/.gitmodules new file mode 100644 index 00000000..4fff1254 --- /dev/null +++ b/.gitmodules @@ -0,0 +1,3 @@ +[submodule ".submodule/scholar-collector"] + path = .submodule/scholar-collector + url = git@github.com:simongravelle/scholar-collector.git diff --git a/.submodule/scholar-collector b/.submodule/scholar-collector new file mode 160000 index 00000000..0992d3ac --- /dev/null +++ b/.submodule/scholar-collector @@ -0,0 +1 @@ +Subproject commit 0992d3ac2874dc991ac4be74616069a1b54bb86f diff --git a/README.md b/README.md index 48a50c7f..fa16b1d5 100644 --- a/README.md +++ b/README.md @@ -7,6 +7,11 @@ A simple academic template that is easy to deploy on GitHub page, and relatively easy to customize using css. You can find the [live](https://simongravelle.github.io/) version, and my resume [here](https://simongravelle.github.io/files/resume/resume-simon-gravelle.pdf). +## Automatic update of the publication list + +The list of publications is updated automatically from Google Scholar using +the [scholar-collector](https://github.com/simongravelle/scholar-collector). + ## Overview [![image](https://user-images.githubusercontent.com/43388542/216845033-cc7b0a28-60ff-4e86-a5ce-2c93930e08e2.png)](https://simongravelle.github.io/) @@ -17,10 +22,10 @@ version, and my resume [here](https://simongravelle.github.io/files/resume/resum ## Credit -This template was originally taken from [wowchemy](https://wowchemy.com/), with some custom CSS -adapted from [nickballousite](https://github.com/nballou) webpage. +This template was originally taken from [wowchemy](https://wowchemy.com/), with +some custom CSS adapted from [nickballousite](https://github.com/nballou) webpage. -## Build locally +## How to build locally To build locally on your computer, type: diff --git a/config/_default/config.yaml b/config/_default/config.yaml index 91afb3a6..1115c39a 100644 --- a/config/_default/config.yaml +++ b/config/_default/config.yaml @@ -29,10 +29,10 @@ module: ############################ ## ADVANCED ############################ - enableGitInfo: false summaryLength: 30 -paginate: 10 +pagination: + pagerSize: 10 enableEmoji: true enableRobotsTXT: true footnotereturnlinkcontents: ^ diff --git a/content/news/2023-cnrs-start/index.md b/content/news/2023-cnrs-start/index.md index a1f7132e..bc8fe5b9 100644 --- a/content/news/2023-cnrs-start/index.md +++ b/content/news/2023-cnrs-start/index.md @@ -19,5 +19,7 @@ links: icon: scroll name: CNRS url: 'https://www.cnrs.fr/fr' +type: "news" +layout: "single" --- In the continuity of my MSCA fellowship, I've been hired by the French CNRS (Section 11) as a tenured full time researcher at [LIPhy](https://liphy.univ-grenoble-alpes.fr/) (UGA). diff --git a/content/news/2023-lammpstutorial-v2.0/index.md b/content/news/2023-lammpstutorial-v2.0/index.md index a5bc3cb4..bac77b74 100644 --- a/content/news/2023-lammpstutorial-v2.0/index.md +++ b/content/news/2023-lammpstutorial-v2.0/index.md @@ -19,6 +19,8 @@ links: icon: github name: Source url: 'https://github.com/lammpstutorials/lammpstutorials.github.io' +type: "news" +layout: "single" --- The [version 2.0](https://lammpstutorials.github.io/) of LAMMPS tutorial has just been published, and offers: * a new structure with a sphinx template diff --git a/content/news/2023-liphy-arrival/index.md b/content/news/2023-liphy-arrival/index.md index 9f95e83e..7fcb26e8 100644 --- a/content/news/2023-liphy-arrival/index.md +++ b/content/news/2023-liphy-arrival/index.md @@ -19,5 +19,7 @@ links: icon: scroll name: MSCA url: 'https://marie-sklodowska-curie-actions.ec.europa.eu/' +type: "news" +layout: "single" --- After 2 great years at the ICP in Stuttgart, I am starting my own MSCA project (NanoSep) at [LIPhy](https://liphy.univ-grenoble-alpes.fr/) (UGA) in [Benoit Coasne group](https://benoitcoasne.github.io/). diff --git a/content/news/2023-maicos-v0.7/index.md b/content/news/2023-maicos-v0.7/index.md index 6972ca22..cf2cb4bb 100644 --- a/content/news/2023-maicos-v0.7/index.md +++ b/content/news/2023-maicos-v0.7/index.md @@ -10,7 +10,6 @@ summary: Use it to analyze your molecular simulations of confined fluids. tags: - Outreach title: The version 0.7 of MAICoS has been released -#url_code: "https://gitlab.com/maicos-devel/maicos/-/tree/release-0-7" links: - icon_pack: fab icon: gitlab @@ -20,8 +19,7 @@ links: icon: scroll name: Documentation url: 'http://maicos-analysis.org' +type: "news" +layout: "single" --- -The version 0.7 of MAICoS has been released. It comes with: -* an improved documentation with theory and tutorials -* a 'Jitter' option to produce smooth density profiles -* new modules for cylindrical and spherical geometries +The version 0.7 of MAICoS has been released. It comes with (1) an improved documentation with theory and tutorials, (2) a 'Jitter' option to produce smooth density profiles, and (3) new modules for cylindrical and spherical geometries. diff --git a/content/news/2023-phd-offer/index.md b/content/news/2023-phd-offer/index.md index 2c531525..6a4f042f 100644 --- a/content/news/2023-phd-offer/index.md +++ b/content/news/2023-phd-offer/index.md @@ -15,6 +15,8 @@ links: icon: scroll name: LIPhy url: 'https://liphy.univ-grenoble-alpes.fr/' +type: "news" +layout: "single" --- **Update.** The offer has now expired, and the selection process has moved to the next step. diff --git a/content/news/2024-MDCourse/index.md b/content/news/2024-MDCourse/index.md index 7bf5a82f..a6a2a973 100644 --- a/content/news/2024-MDCourse/index.md +++ b/content/news/2024-MDCourse/index.md @@ -23,6 +23,8 @@ links: icon: github name: Source url: 'https://github.com/mdcourse/python-codes' +type: "news" +layout: "single" --- [Learn Molecular Simulations with Python](https://mdcourse.github.io/) diff --git a/content/news/2024-postdoc-offer/index.md b/content/news/2024-postdoc-offer/index.md index 74cdf112..98205f5a 100644 --- a/content/news/2024-postdoc-offer/index.md +++ b/content/news/2024-postdoc-offer/index.md @@ -15,6 +15,8 @@ links: icon: scroll name: LIPhy url: 'https://liphy.univ-grenoble-alpes.fr/' +type: "news" +layout: "single" --- **Scope.** diff --git a/content/publication/2012-optimizing-water/index.md b/content/publication/2013_110_41_Gravelle_Proceedings_of_the_National_Academy_of_Sciences/index.md similarity index 100% rename from content/publication/2012-optimizing-water/index.md rename to content/publication/2013_110_41_Gravelle_Proceedings_of_the_National_Academy_of_Sciences/index.md diff --git a/content/publication/2013-nanofluidic-osmotic/index.md b/content/publication/2013_111_24_Picallo_Physical_review_letters/index.md similarity index 100% rename from content/publication/2013-nanofluidic-osmotic/index.md rename to 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a/content/publication/2015-nanofluidics-a-theoretical/index.md b/content/publication/2015_Gravelle_These/index.md similarity index 100% rename from content/publication/2015-nanofluidics-a-theoretical/index.md rename to content/publication/2015_Gravelle_These/index.md diff --git a/content/publication/2016-forces-behind/index.md b/content/publication/2016_113_32_Guerin_Proceedings_of_the_National_Academy_of_Sciences/index.md similarity index 100% rename from content/publication/2016-forces-behind/index.md rename to content/publication/2016_113_32_Guerin_Proceedings_of_the_National_Academy_of_Sciences/index.md diff --git a/content/publication/2016-carbon-membrane/index.md b/content/publication/2016_145_12_Gravelle_The_Journal_of_chemical_physics/index.md similarity index 100% rename from content/publication/2016-carbon-membrane/index.md rename to content/publication/2016_145_12_Gravelle_The_Journal_of_chemical_physics/index.md diff --git 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a/content/publication/2024_2_4_Carral_APL_Machine_Learning/index.md b/content/publication/2024_2_4_Carral_APL_Machine_Learning/index.md new file mode 100644 index 00000000..2fb13b0f --- /dev/null +++ b/content/publication/2024_2_4_Carral_APL_Machine_Learning/index.md @@ -0,0 +1,15 @@ +--- +title: "In silico design and prediction of metastable quaternary phases in Cu–Ni–Si–Cr alloys" +date: 2024-01-01 +publishDate: 2024-01-01 +authors: ["Ángel Díaz Carral", "**Simon Gravelle**", "Maria Fyta"] +publication_types: ["2"] +abstract: "Quaternary phases formed in copper alloys are investigated through a combination of quantum-mechanical and classical computer simulations and active machine learning. Focus is given to nickel, silicon, and chromium impurities in a copper matrix. The analysis of the formation enthalpies of candidate quaternary structures leads to the prediction of two novel quaternary phases and the assessment of their stability. For the predicted two phases, machine learned atomistic potentials are developed using active learning with quantum-mechanical accuracy. The use of these potentials in atomistic simulations further elucidates the structure, temperature-dependent dynamics, and elastic behavior of the predicted quaternary phases in copper alloys. The combined in silico approach is thus proven highly efficient in both designing materials and elucidating their properties and potential combining different spatiotemporal …" +featured: true +publication: "APL Machine Learning 2024 2 (4)" +links: + - icon_pack: fas + icon: scroll + name: Link + url: 'https://pubs.aip.org/aip/aml/article/2/4/046109/3321488' +--- diff --git a/content/publication/2024_Gravelle_arXiv/index.md b/content/publication/2024_Gravelle_arXiv/index.md new file mode 100644 index 00000000..40c06224 --- /dev/null +++ b/content/publication/2024_Gravelle_arXiv/index.md @@ -0,0 +1,15 @@ +--- +title: "Effect of thermal fluctuations on the average shape of a graphene nanosheet suspended in a shear flow" +date: 2024-01-01 +publishDate: 2024-01-01 +authors: ["**Simon Gravelle**", "Catherine Kamal", "Lorenzo Botto"] +publication_types: ["3"] +abstract: "Graphene nanosheets display large hydrodynamic slip lengths in most solvents, and because of this, adopt a stable orientation in a shear flow instead of rotating when thermal fluctuations are negligible [Kamal et al., Nature Comm., 11.1,2020]. In this paper, we combine molecular dynamics simulations and boundary integral simulations to demonstrate that the time-averaged 'S' shape adopted by a flexible graphene nanosheet subject to moderate thermal fluctuation is comparable to the shape predicted when neglecting thermal fluctuations. The stable 'S' shape adopted by the particle results primarily from the normal hydrodynamic traction, which is sensitive to the orientation of the particle with respect to the flow direction. Our results imply that thermally-induced shape fluctuations have a relatively minor effect on the time-averaged rheology of dilute suspensions of graphene nanosheets for relatively large but finite P\'eclet numbers." +featured: true +publication: "arXiv 2024 " +links: + - icon_pack: fas + icon: scroll + name: Link + url: 'https://arxiv.org/abs/2412.09139' +--- diff --git a/hugo.toml b/hugo.toml index 3fd24d4e..0d1acc51 100644 --- a/hugo.toml +++ b/hugo.toml @@ -1,4 +1,12 @@ +# The base URL for your website. +# This is typically the domain where your site will be hosted. +# Use "/" if hosting locally or configuring later for deployment. baseurl = "/" + +# Enable relative URLs to avoid absolute paths in links. +# This is useful for testing locally or deploying to non-root domains. relativeURLs = true + +# Use "ugly" URLs for pages (e.g., "/about.html" instead of "/about/"). +# This can be useful for certain server setups or preferences. uglyURLs = true -# googleAnalytics = 'UA-36911186-4' diff --git a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/_default/baseof.html b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/_default/baseof.html index 50e92494..8d9eacc1 100644 --- a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/_default/baseof.html +++ b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/_default/baseof.html @@ -6,7 +6,16 @@ {{ $show_navbar := ((site.Params.header.navbar.enable | default true) | and (ne .Params.header.navbar.enable false)) | or .Params.header.navbar.enable }} {{- $highlight_active_link := site.Params.header.navbar.highlight_active_link | default true -}} - + + {{/* Initialise Wowchemy. */}} {{ $js_license := printf "/*! Wowchemy v%s | https://wowchemy.com/ */\n" site.Data.wowchemy.version }} diff --git a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/marketing/google_analytics.html b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/marketing/google_analytics.html index 91b9ca8b..c7b28220 100644 --- a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/marketing/google_analytics.html +++ b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/marketing/google_analytics.html @@ -1,42 +1,4 @@ -{{ $ga := site.Params.marketing.analytics.google_analytics | default site.GoogleAnalytics | default "" }} - -{{ if hugo.IsProduction | and $ga }} - -{{ $gtag_config := cond site.Params.features.privacy_pack.enable "{ 'anonymize_ip': true }" "{}" }} - + -{{ end }} diff --git a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/site_head.html b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/site_head.html index b7e51a0d..34f5e455 100644 --- a/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/site_head.html +++ b/themes/github.com/wowchemy/wowchemy-hugo-themes/modules/wowchemy/v5/layouts/partials/site_head.html @@ -36,9 +36,10 @@ {{ end }} {{ end }} + {{/* Attempt to load superuser. */}} {{ $superuser_name := "" }} diff --git a/update-publications.sh b/update-publications.sh new file mode 100755 index 00000000..0457181f --- /dev/null +++ b/update-publications.sh @@ -0,0 +1,29 @@ +#!/bin/bash + +set -e + +echo "Ensuring submodules are initialized and updated..." +git submodule update --init +git submodule update --remote + +# Navigate to the submodule directory +SUBMODULE_DIR=".submodule/scholar-collector" +if [ -d "$SUBMODULE_DIR" ]; then + echo "Navigating to submodule directory: $SUBMODULE_DIR" + cd "$SUBMODULE_DIR" +else + echo "Error: Submodule directory '$SUBMODULE_DIR' does not exist." + exit 1 +fi + +# Run the Python script with the specified path +SCRIPT="collect_publications.py" +TARGET_PATH="../../content/publication/" + +if [ -f "$SCRIPT" ]; then + echo "Executing $SCRIPT with path $TARGET_PATH" + python3 "$SCRIPT" "$TARGET_PATH" +else + echo "Error: Script '$SCRIPT' not found in the submodule directory." + exit 1 +fi