Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms

Advanced Energy Materials

Volumn 3, Issue 8, 2013, Pages 980-985

  Fujimura, Koji ^a,b   Seko, Atsuto ^a   Koyama, Yukinori ^a   Kuwabara, Akihide ^b   Kishida, Ippei ^c   Shitara, Kazuki ^a   Fisher, Craig A J ^b   Moriwake, Hiroki ^b   Tanaka, Isao ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b JAPAN FINE CERAMICS CENTER   (Japan)

^c Osaka Prefecture University   (Japan)

Author keywords

cluster expansion; first principles molecular dynamics; LISICON; solid electrolyte; support vector regression

Indexed keywords

CLUSTER EXPANSION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES MOLECULAR DYNAMICS; LISICON; MACHINE LEARNING TECHNIQUES; MATERIALS DESIGN; SUPER IONIC CONDUCTORS; SUPPORT-VECTOR REGRESSION;

ITERATIVE METHODS; LEARNING ALGORITHMS; LEARNING SYSTEMS; MOLECULAR DYNAMICS; OBJECT ORIENTED PROGRAMMING; PHASE SPACE METHODS; SOLID ELECTROLYTES;

CALCULATIONS;

EID: 84882266612     PISSN: 16146832     EISSN: 16146840     Source Type: Journal    
DOI: 10.1002/aenm.201300060     Document Type: Article

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