Enhanced Sampling Path Integral Methods Using Neural Network Potential Energy Surfaces with Application to Diffusion in Hydrogen Hydrates-Reference-Cited by-同舟云学术

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

Published:2020-12-18 Issue:4 Volume:4 Page:2000258
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Cendagorta Joseph R.¹,Shen Hengyuan²,Bačić Zlatko¹³,Tuckerman Mark E.¹³⁴^ORCID

Affiliation:

1. Department of Chemistry New York University New York NY 10003 USA

2. Department of Chemistry New York University Shanghai 1555 Century Avenue Pudong Shanghai 200122 China

3. NYU‐ECNU Center for Computational Chemistry at NYU Shanghai 3663 Zhongshan Road, North Shanghai 200062 China

4. Courant Institute of Mathematical Sciences New York University New York NY 10012 USA

Funder

National Science Foundation

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202000258

Reference129 articles.

1. Zur Quantentheorie der Molekeln

2. Non-Born−Oppenheimer Molecular Dynamics

3. Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory

4. Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole

5. Space-Time Approach to Non-Relativistic Quantum Mechanics

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