Dávid Péter Kovács

7PUBLICATIONS
88CO-AUTHORS
Computational chemistryDeep learningBiomolecular modelling and designFluid-structure interaction and aeroacousticsSoftware quality, processes and metrics
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Publications (7)

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Jul 02, 2025
Zero shot molecular generation via similarity kernels.

Rokas Elijošius, Fabian Zills, Ilyes Batatia

|May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules.

Dávid Péter Kovács, J Harry Moore, Nicholas J Browning

|Oct 06, 2023
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects.

Venkat Kapil, Dávid Péter Kovács, Gábor Csányi

|Jul 31, 2023
Evaluation of the MACE force field architecture: From medicinal chemistry to materials science.

Dávid Péter Kovács, Ilyes Batatia, Eszter Sára Arany

|Nov 04, 2021
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE.

Dávid Péter Kovács, Cas van der Oord, Jiri Kucera

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Frequent Collaborators

6 joint publications

Gábor Csányi

2 joint publications

Ilyes Batatia

2 joint publications

Fabian Zills

2 joint publications

Ioan-Bogdan Magdău