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Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water

Fuente: arXiv

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Bibliographic Details
Main Authors:	Thomsen, Bo, Nagai, Yuki, Kobayashi, Keita, Hamada, Ikutaro, Shiga, Motoyuki
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Materials Science
Online Access:	Acceder al recurso
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