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Dávid Kovács

3 results in Authors: Dávid Kovács

Theoretical and Computational Chemistry

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

David Peter Kovacs, Cas van der Oord, Jiri Kucera, Alice Allen, Daniel Cole, Christoph Ortner, Gabor Csanyi

Version 4 posted 12 October 2021

1,923

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Position of Gold Dictates the Photophysical and Photocatalytic Properties of Cu2O in Cu2O/Au Multicomponent Nanoparticles

Dávid Kovács, András Deák, György Z. Radnóczi, Zsolt E. Horváth, Attila Sulyok, Róbert Schiller, Ottó Czömpöly, Dániel Zámbó

Version 1 posted 28 February 2023

119

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Theoretical and Computational Chemistry

Quantitative Interpretation Explains Machine Learning Models for Chemical Reaction Prediction and Uncovers Bias

David Peter Kovacs, William McCorkindale, Alpha Lee

Version 1 posted 08 October 2020

519

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