Dávid Péter Kovács

1. A foundation model for atomistic materials chemistry
   2023/12/29 by Ilyes Batatia, Philipp Benner, Batatia, Ilyes +182 · 5 voices · 150 citations
   Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
2. The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
   2022/05/13 by Ilyes Batatia, Batatia, Ilyes, Simon Batzner +15 · 61 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
3. MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
   2023/12/23 by Dávid Péter Kovács, Kovács, Dávid Péter, J. Harry Moore +20 · 1 voice · 45 citations
   Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics #physics.chem-ph