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Title: Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]
  1. Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, 5735 S Ellis Ave., Chicago, Illinois 60637, USA; Department of Chemical Engineering, University of Rochester, Rochester, New York 14627, USA
  2. Leadership Computing Facility, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA
  3. Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, 5735 S Ellis Ave., Chicago, Illinois 60637, USA
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
US Department of the Navy, Office of Naval Research (ONR); Argonne National Laboratory - Argonne Leadership Computing Facility; University of Chicago - Materials Research Science & Engineering Center (MRSEC)
OSTI Identifier:
1429896
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 146; Journal Issue: 4
Country of Publication:
United States
Language:
English

Citation Formats

White, Andrew D., Knight, Chris, Hocky, Glen M., and Voth, Gregory A. Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data. United States: N. p., 2017. Web. doi:10.1063/1.4974837.
White, Andrew D., Knight, Chris, Hocky, Glen M., & Voth, Gregory A. Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data. United States. doi:10.1063/1.4974837.
White, Andrew D., Knight, Chris, Hocky, Glen M., and Voth, Gregory A. Sat . "Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data". United States. doi:10.1063/1.4974837.
@article{osti_1429896,
title = {Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data},
author = {White, Andrew D. and Knight, Chris and Hocky, Glen M. and Voth, Gregory A.},
abstractNote = {},
doi = {10.1063/1.4974837},
journal = {Journal of Chemical Physics},
number = 4,
volume = 146,
place = {United States},
year = {Sat Jan 28 00:00:00 EST 2017},
month = {Sat Jan 28 00:00:00 EST 2017}
}