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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Hsing-Ta Chen1, Guy Cohen2, David R Reichman1
1Department of Chemistry, Columbia University, New York, New York 10027, USA.
This study benchmarks inchworm Monte Carlo expansions for the spin-boson model, comparing their performance against exact methods. The analysis reveals the strengths and weaknesses of inchworm Monte Carlo for quantum dynamics simulations.
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