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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