Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials-Reference-Cited by-同舟云学术

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials

Author:

Plé Thomas¹,Mauger Nastasia¹,Adjoua Olivier¹,Inizan Théo Jaffrelot¹,Lagardère Louis¹,Huppert Simon²,Piquemal Jean-Philip¹³⁴^ORCID

Affiliation:

1. Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France

2. Institut des Nanosciences de Paris (INSP), CNRS UMR 7588, and Sorbonne Université, F-75005 Paris, France

3. Institut Universitaire de France, 75005 Paris, France

4. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference106 articles.

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