- π I'm a computational chemist / materials scientist working towards my PhD...
- π ... in lab COSMO at EPFL, Lausanne, Switzerland...
- π‘ ... currently working on machine learning the real-space densities of electronic states in condensed matter...
- π± ... whilst more broadly interested in building software for integrated ML models for electronic structure theory...
- π« ... and contactable at joseph.abbott@epfl.ch or on X @jwasci !
PhD candidate @lab-cosmo, EPFL in ML for atomistic simulations. Currently machine learning real-space densities of electronic states.
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Lab COSMO, EPFL
- Lausanne
- linktr.ee/josephabbott
- @jwasci
Highlights
- Pro
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rho_learn
rho_learn PublicForked from m-stack-org/rho_learn
A proof-of-concept framework for torch-based learning of the electron density and related scalar fields
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lab-cosmo/metatensor
lab-cosmo/metatensor PublicSelf-describing sparse tensor data format for atomistic machine learning and beyond
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Luthaf/rascaline
Luthaf/rascaline PublicComputing representations for atomistic machine learning
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quantum_HEOM
quantum_HEOM PublicA tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.
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