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This content will become publicly available on January 2, 2019

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:
Grant/Contract Number:
AC02-06CH11357
Type:
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
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1415336