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Péter R. Nagy

3 results in Authors: Péter R. Nagy

Theoretical and Computational Chemistry

A coming of age for many-body methods: Achieving consensus with experiments for CO on MgO

Benjamin X. Shi, Andrea Zen, Venkat Kapil, Péter R. Nagy, Andreas Grüneis, Angelos Michaelides

Version 2 posted 06 September 2023

439

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Theoretical and Computational Chemistry

Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide Complexes

Julian Melendez Delgado, Peter R. Nagy, Sameer Varma

Version 1 posted 21 September 2023

182

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Theoretical and Computational Chemistry

Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules

Apurba Nandi, Peter R. Nagy

Version 1 posted 12 December 2023

151

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