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
- Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
- 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
Cited by: 47 works
Citation information provided by
Web of Science
Web of Science
Similar Records
Using Nonequilibrium Fluctuation Theorems to Understand and Correct Errors in Equilibrium and Nonequilibrium Simulations of Discrete Langevin Dynamics
Constant pressure and temperature discrete-time Langevin molecular dynamics
Constant pressure and temperature discrete-time Langevin molecular dynamics
Journal Article
·
Tue Jan 29 00:00:00 EST 2013
· Physical Review X
·
OSTI ID:1170568
Constant pressure and temperature discrete-time Langevin molecular dynamics
Journal Article
·
Tue Nov 18 00:00:00 EST 2014
· The Journal of Chemical Physics
·
OSTI ID:1170568
Constant pressure and temperature discrete-time Langevin molecular dynamics
Journal Article
·
Fri Nov 21 00:00:00 EST 2014
· Journal of Chemical Physics
·
OSTI ID:1170568