Dávid Péter Kovács - Publications, H-index & Citations

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Dávid Péter Kovács

University of Cambridge

16H-index

30Paper Count

1.9KCitation Count

Published Papers 7

Publication Date

MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2025-05-19

OAAI

Kovacs, David Peter; Moore, J. Harry; Browning, Nicholas J.; Batatia, Ilyes; Horton, Joshua T.; Pu, Yixuan; Kapil, Venkat; Witt, William C.; Cole, Daniel J.; Csanyi, Gabor

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First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects

FARADAY DISCUSSIONS

IF3.1

2024-01-01

OAAI

Kapil, Venkat; Kovacs, David Peter; Csanyi, Gabor; Michaelides, Angelos

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Hyperactive learning for data-driven interatomic potentials

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-09-13

OAAI

van der Oord, Cas; Sachs, Matthias; Kovacs, David Peter; Ortner, Christoph; Csanyi, Gabor

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Evaluation of the MACE force field architecture: From medicinal chemistry to materials science

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-07-31

OAAI

Kovacs, David Peter; Batatia, Ilyes; Arany, Eszter Sara; Csanyi, Gabor

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Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-11-04

OAAI

Kovacs, David Peter; van der Oord, Cas; Kucera, Jiri; Allen, Alice E. A.; Cole, Daniel J.; Ortner, Christoph; Csanyi, Gabor

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Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias

NATURE COMMUNICATIONS

IF15.7

2021-03-16

OAAI

Kovacs, David Peter; McCorkindale, William; Lee, Alpha A.

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Validation of the CoGEF Method as a Predictive Tool for Polymer Mechanochemistry

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2020-09-09

140

PREAI

Klein, Isabel M.; Husic, Corey C.; Kovacs, David P.; Choquette, Nicolas J.; Robb, Maxwell J.

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Research Directions