Germain Vallverdu
Maître De Conférences (Associate Professor)
Pau, Nouvelle-Aquitaine, France
Summary
👤
Senior🎓
Top SchoolGermain Vallverdu is an associate professor and computational chemist with 12+ years of experience developing multiscale numerical methods and molecular modeling tools at the University of Pau & Pays Adour and IPREM. He combines quantum chemistry, molecular dynamics and solid-state expertise to study surfaces, interfaces and complex matrices, and has led software development for data analysis and simulation workflows in academic–industrial collaborations like iC2MC. A Python enthusiast and contributor to the widely used pymatgen project, he improved VASP and Gaussian I/O handling—bringing practical file-compatibility and bond-order extraction enhancements to a major materials-science library. He teaches chemical-physics and scientific programming, promotes problem-based learning and hybrid Moodle courses, and has experience implementing parallel DPD methods from his CEA work. Known for bridging rigorous theory with production-ready code, he often translates advanced electronic-structure outputs into actionable analyses for energy and materials problems.
12 years of coding experience
Master 2 (M2), Physico-chimie Moléculaire, Mention TB, Master 2 (M2), Physico-chimie Moléculaire, Mention TB at Université Paris Sud (Paris XI)Classes Préparatoires aux Grandes Écoles, Physique Chimie, Classes Préparatoires aux Grandes Écoles, Physique Chimie at Lycée François AragoDoctorat de philosophie, chimie physique numérique, Mention très honorable, Doctorat de philosophie, chimie physique numérique, Mention très honorable at Université Paris-Sud
English, French, Spanish
Stackoverflow
9,286reputation
1.2mreached
13answers
59questions
python-sphinx
top-5%
python
top-5%
Github Skills (16)
pymatgen10
python10
materials-informatics9
science9
python-sphinx9
computational-chemistry8
xml8
mathematical-optimization6
seaborn6
scipy6
pathlib6
restructuredtext6
violin-plot6
forloop6
histogram6
Programming languages (10)
Github contributions (5)
materialsproject/pymatgen
Apr 2014 - Apr 2020
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Role in this project:
Back-end Developer
Back-end DeveloperContributions:57 commits, 10 PRs, 17 comments in 6 years
Contributions summary:Germain primarily contributed to the `pymatgen` library, focusing on enhancements to the `io.vaspio` and `io.gaussianio` modules. They added functionality to process and read VASP and Gaussian output files, including support for core state eigenenergies, bond order extraction, and the reading of various scan and TD-DFT data. Furthermore, the user addressed file format compatibility issues and improved the handling of multiple structures.
moleculespythonscienceelectronic-structurepowers
gVallverdu/chromatorand
Apr 2020 - Sep 2022
Dash application to produce random chromatogram from a student number
Contributions:2 PRs, 8 pushes, 1 branch in 2 years 6 months
plotly-dashdashchromatogram
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