Agilio Padua
Head Of The Chemistry Department at Ecole normale supérieure de Lyon
Lyon, Auvergne-Rhône-Alpes, France
Summary
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Rockstar🎓
Top SchoolAgilio Padua is Head of the Chemistry Department at École normale supérieure de Lyon and a Distinguished Professor with 12 years of experience in molecular simulation and thermodynamics. He specializes in molecular simulation of ionic liquids and has made substantive backend contributions to the widely used LAMMPS MD package, extending Drude oscillator functionality and enhancing Free Energy Perturbation examples and documentation. A former Editor of The Journal of Chemical Thermodynamics and senior member of the Institut universitaire de France, he blends leadership in academic thermodynamics with hands-on software development. Trained with a PhD in Chemical Engineering from Instituto Superior Técnico, he is known for translating complex force-field concepts into practical simulation workflows and improving usability through clearer examples and MathJax-formatted documentation.
13 years of coding experience
17 years of employment as a software developer
Instituto Superior Técnico
Github Skills (7)
molecular-dynamics-simulation10
molecular-simulation10
nonlinear-dynamics10
documentation9
c-language8
cprogramming-language8
python6
Programming languages (3)
Github contributions (5)
lammps/lammps
Feb 2017 - Apr 2021
Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer
Back-end DeveloperContributions:7 reviews, 30 commits, 8 PRs in 4 years 3 months
Contributions summary:Agilio primarily worked on the LAMMPS MD software package, contributing to the Drude and FEP (Free Energy Perturbation) functionalities. Their commits include updates to the `pair_thole` and `pair_lj_cut_thole_long` files, likely related to the implementation and improvement of Drude oscillators and the handling of interactions between atoms. They also made significant changes to examples and documentation related to FEP calculations, including converting documentation to mathjax format and updating example input scripts, indicating a focus on expanding the usability and documentation of the FEP capabilities.
lammpsmolecular-dynamicssimulationkokkos
agiliopadua/homebrew-extras
Apr 2014 - Dec 2020
Contributions:70 commits, 65 pushes, 2 comments in 6 years 9 months
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