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

Fuente: arXiv

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Bibliographic Details
Main Authors:	Plé, Thomas, Mauger, Nastasia, Adjoua, Olivier, Jaffrelot-Inizan, Théo, Lagardère, Louis, Huppert, Simon, Piquemal, Jean-Philip
Format:	Preprint
Published:	2022
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2212.03137