PhD candidate in Physical and Theoretical Chemistry at the University of Rennes.
I develop machine learning interatomic potentials (MLIPs) and use ab-initio molecular dynamics to model amorphous solid electrolytes for all-solid-state batteries.
Tools & Skills
Python PyTorch MACE ASE VASP CP2K CASTEP LAMMPS
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About
PhD in computational chemistry • HPC calculations •MLIPs for solid-state batteries • Raman spectra simulation • Li⁺ transport in glasses • Python • MACE • CP2K/CASTEP
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Doctoral student at University of Rennes
Rennes
5:40 PM
Member since December 04, 2024