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Title: Adaptive enhanced sampling by force-biasing using neural networks

Authors:
ORCiD logo [1];  [1];  [2]; ORCiD logo [2];  [1];  [3]
  1. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, USA
  2. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, USA
  3. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, USA, Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1431380
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 13; Related Information: CHORUS Timestamp: 2018-04-05 16:02:28; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Guo, Ashley Z., Sevgen, Emre, Sidky, Hythem, Whitmer, Jonathan K., Hubbell, Jeffrey A., and de Pablo, Juan J. Adaptive enhanced sampling by force-biasing using neural networks. United States: N. p., 2018. Web. doi:10.1063/1.5020733.
Guo, Ashley Z., Sevgen, Emre, Sidky, Hythem, Whitmer, Jonathan K., Hubbell, Jeffrey A., & de Pablo, Juan J. Adaptive enhanced sampling by force-biasing using neural networks. United States. doi:10.1063/1.5020733.
Guo, Ashley Z., Sevgen, Emre, Sidky, Hythem, Whitmer, Jonathan K., Hubbell, Jeffrey A., and de Pablo, Juan J. Sat . "Adaptive enhanced sampling by force-biasing using neural networks". United States. doi:10.1063/1.5020733.
@article{osti_1431380,
title = {Adaptive enhanced sampling by force-biasing using neural networks},
author = {Guo, Ashley Z. and Sevgen, Emre and Sidky, Hythem and Whitmer, Jonathan K. and Hubbell, Jeffrey A. and de Pablo, Juan J.},
abstractNote = {},
doi = {10.1063/1.5020733},
journal = {Journal of Chemical Physics},
number = 13,
volume = 148,
place = {United States},
year = {Sat Apr 07 00:00:00 EDT 2018},
month = {Sat Apr 07 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 3, 2019
Publisher's Accepted Manuscript

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