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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:
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 147 Journal Issue: 7; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1375660

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., 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.. 2017. "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 = {2017},
month = {8}
}

Works referenced in this record:

Duplex Oligomers Defined via Covalent Casting of a One-Dimensional Hydrogen-Bonding Motif
journal, May 2002
  • Archer, Eric A.; Krische, Michael J.
  • Journal of the American Chemical Society, Vol. 124, Issue 18, p. 5074-5083
  • DOI: 10.1021/ja012696h