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Title: Time Step Rescaling Recovers Continuous-Time Dynamical Properties for Discrete-Time Langevin Integration of Nonequilibrium Systems

Journal Article · · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
DOI:https://doi.org/10.1021/jp411770f· OSTI ID:1170568
 [1];  [2];  [1]
  1. Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  2. Computational Biology Program, Memorial Sloan-Kettering Cancer Center, New York, New York 10065, United States

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1170568
Journal Information:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Vol. 118 Journal Issue: 24; ISSN 1520-6106
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 47 works
Citation information provided by
Web of Science

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An analysis of the accuracy of Langevin and molecular dynamics algorithms journal December 1988
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Transition path sampling and the calculation of rate constants journal February 1998

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