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Title: Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]
  1. Chemistry Department, Stanford University, Stanford, California 94305, USA
  2. Pacific Northwest National Laboratory, Richland, Washington 99352, USA
  3. Mechanical Engineering Department, Stanford University, Stanford, California 94305, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1375660
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 147; Journal Issue: 7; Related Information: CHORUS Timestamp: 2018-02-15 02:26:06; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Ahn, Surl-Hee, Grate, Jay W., and Darve, Eric F. Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm. United States: N. p., 2017. Web. doi:10.1063/1.4999097.
Ahn, Surl-Hee, Grate, Jay W., & Darve, Eric F. Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm. United States. doi:10.1063/1.4999097.
Ahn, Surl-Hee, Grate, Jay W., and Darve, Eric F. Mon . "Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm". United States. doi:10.1063/1.4999097.
@article{osti_1375660,
title = {Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm},
author = {Ahn, Surl-Hee and Grate, Jay W. and Darve, Eric F.},
abstractNote = {},
doi = {10.1063/1.4999097},
journal = {Journal of Chemical Physics},
number = 7,
volume = 147,
place = {United States},
year = {Mon Aug 21 00:00:00 EDT 2017},
month = {Mon Aug 21 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on August 21, 2018
Publisher's Accepted Manuscript

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