Martin Vondrák
- A foundation model for atomistic materials chemistry
2023/12/29 by Ilyes Batatia, Batatia, Ilyes, Philipp Benner +182 · 5 voices · 170 citations
Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
- q-pac : A Python package for machine learned charge equilibration models
2023/08/02 by Martin Vondrák, Karsten Reuter, Johannes T. Margraf · 6 citations
Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Electrochemical Analysis and Applications