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Title: An efficient algorithm for finding the minimum energy path for cation migration in ionic materials

Authors:
 [1];  [1]; ORCiD logo [2];  [1];  [3]
  1. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
  2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  3. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA; Department of Materials Science and Engineering, University of California, Berkeley, Berkeley California 94720, USA
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Joint Center for Energy Storage Research (JCESR); National Science Foundation (NSF)
OSTI Identifier:
1298334
Alternate Identifier(s):
OSTI ID: 1416455; OSTI ID: 1474902
Grant/Contract Number:  
AC02-05CH11231; OCI-1147503; 3F-31144; EDCBEE
Resource Type:
Published Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 145 Journal Issue: 7; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 36 MATERIALS SCIENCE; 97 MATHEMATICS AND COMPUTING; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Rong, Ziqin, Kitchaev, Daniil, Canepa, Pieremanuele, Huang, Wenxuan, and Ceder, Gerbrand. An efficient algorithm for finding the minimum energy path for cation migration in ionic materials. United States: N. p., 2016. Web. doi:10.1063/1.4960790.
Rong, Ziqin, Kitchaev, Daniil, Canepa, Pieremanuele, Huang, Wenxuan, & Ceder, Gerbrand. An efficient algorithm for finding the minimum energy path for cation migration in ionic materials. United States. doi:10.1063/1.4960790.
Rong, Ziqin, Kitchaev, Daniil, Canepa, Pieremanuele, Huang, Wenxuan, and Ceder, Gerbrand. Thu . "An efficient algorithm for finding the minimum energy path for cation migration in ionic materials". United States. doi:10.1063/1.4960790.
@article{osti_1298334,
title = {An efficient algorithm for finding the minimum energy path for cation migration in ionic materials},
author = {Rong, Ziqin and Kitchaev, Daniil and Canepa, Pieremanuele and Huang, Wenxuan and Ceder, Gerbrand},
abstractNote = {},
doi = {10.1063/1.4960790},
journal = {Journal of Chemical Physics},
number = 7,
volume = 145,
place = {United States},
year = {2016},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4960790

Citation Metrics:
Cited by: 3 works
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