MKubillus

Karlsruhe, Germany

Pinned Repositories

DFTB-repulsive-learning
Framkework for Learning Repulsive Potentials in DFTB+
00
dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran00
testset_wrapper
Calculating testsets in bulk with DFTB+
Language:Python01

MKubillus's Repositories

MKubillus/DFTB-repulsive-learning
Framkework for Learning Repulsive Potentials in DFTB+
00
MKubillus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran00
MKubillus/testset_wrapper
Calculating testsets in bulk with DFTB+
Language:Python01