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Advanced Theory and Simulations 2020 / 12

Enhanced Sampling Path Integral Methods Using Neural Network Potential Energy Surfaces with Application to Diffusion in Hydrogen Hydrates

Cendagorta, Joseph R., Shen, Hengyuan, Bačić, Zlatko, Tuckerman, Mark E.
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Journal:
Advanced Theory and Simulations
DOI:
10.1002/adts.202000258
Date:
December, 2020
File:
PDF, 1.18 MB
2020
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