Dávid Péter Kovács

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 3

Top Topics

Angiotensin Converting Enzyme

Electron Transfer

High Temperature

Machine Learning

Top Venues

Faraday discussions

Nature communications

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, Angelos Michaelides
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects. Faraday discussions (2023)
Dávid Péter Kovács, Cas van der Oord, Jiri Kucera, Alice E A Allen, Daniel J Cole, Christoph Ortner, Gábor Csányi
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE. Journal of chemical theory and computation (2021)
Dávid Péter Kovács, William McCorkindale, Alpha A Lee
Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias. Nature communications 12 (1) (2021)