skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [4]
  1. Department of Chemistry, University of Chicago, Chicago, Illinois 60637, USA
  2. Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439-8643, USA
  3. Laboratoire International Associé Centre National de la Recherche Scientifique and University of Illinois at Urbana-Champaign, UMR 7565, Université de Lorraine, BP 70239, 54506 Vandævre-lès-Nancy, France, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA and Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
  4. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637-1454, USA, Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439-8643, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1415336
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 1; Related Information: CHORUS Timestamp: 2018-02-14 21:59:59; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Suh, Donghyuk, Radak, Brian K., Chipot, Christophe, and Roux, Benoît. Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator. United States: N. p., 2018. Web. doi:10.1063/1.5004154.
Suh, Donghyuk, Radak, Brian K., Chipot, Christophe, & Roux, Benoît. Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator. United States. doi:10.1063/1.5004154.
Suh, Donghyuk, Radak, Brian K., Chipot, Christophe, and Roux, Benoît. Sun . "Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator". United States. doi:10.1063/1.5004154.
@article{osti_1415336,
title = {Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator},
author = {Suh, Donghyuk and Radak, Brian K. and Chipot, Christophe and Roux, Benoît},
abstractNote = {},
doi = {10.1063/1.5004154},
journal = {Journal of Chemical Physics},
number = 1,
volume = 148,
place = {United States},
year = {Sun Jan 07 00:00:00 EST 2018},
month = {Sun Jan 07 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 2, 2019
Publisher's Accepted Manuscript

Save / Share: