Accelerating ring-polymer molecular dynamics with parallel-replica dynamics
Author:
Affiliation:
1. Department of Energy Resources Engineering, Stanford University, Stanford, CA 94305, USA
2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Funder
Basic Energy Sciences (BES)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4954311
Reference50 articles.
1. The properties of hydrogen and helium under extreme conditions
2. Space-Time Approach to Non-Relativistic Quantum Mechanics
3. Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
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2. Accelerated Molecular Dynamics Methods for Long-Time Simulations in Materials;Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile;2021
3. Thermal Rate Coefficients for the Astrochemical Process C + CH+ → C2+ + H by Ring Polymer Molecular Dynamics;The Journal of Physical Chemistry A;2016-12-09
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