Research Associate at Bundesanstalt für Materialforschung und -prüfung, Germany.
- Bundesanstalt für Materialforschung und -prüfung
- Berlin, Germany
-
10:09
(UTC +02:00) - https://orcid.org/my-orcid?orcid=0000-0001-5296-8433
- https://orcid.org/0000-0001-5296-8433
Popular repositories Loading
- VASP_2_Wannier90
VASP_2_Wannier90 Publiccreate WANNIER90 input files from VASP runs for high-throughput calculations
- mace_phonopy
mace_phonopy Publiccode to generate 2nd order interatomic force constants from phonopy using mace ML potentials
Python 8
- CATGNN_phonon_DOS
CATGNN_phonon_DOS Publiccode used to predict phonon DOS using our developed CATGNN model
- bulk_modulus_MACE_CHGNet
bulk_modulus_MACE_CHGNet Publiccode to calculate bulk modulus using machine learning potentials such as MACE and CHGNet
Python 4
- QE_automate
QE_automate Publiccreate Quantum Espresso input files for high-throughput calculations
Python 2
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