AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

Computational Materials Science

Volumn 58, Issue , 2012, Pages 227-235

  Curtarolo, Stefano ^a,b,c   Setyawan, Wahyu ^a   Wang, Shidong ^a   Xue, Junkai ^a   Yang, Kesong ^a   Taylor, Richard H ^a   Nelson, Lance J ^d   Hart, Gus L W ^d   Sanvito, Stefano ^e   Buongiorno Nardelli, Marco ^c,f   Mingo, Natalio ^g   Levy, Ohad ^h  

^a Duke University   (United States)

^b DUKE UNIVERSITY   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d Brigham Young University   (United States)

^e TRINITY COLLEGE DUBLIN   (Ireland)

^f UNIVERSITY OF NORTH TEXAS   (United States)

^g CEA GRENOBLE   (France)

^h NUCLEAR RESEARCH CENTER NEGEV   (Israel)

Author keywords

Ab initio; AFLOW; Combinatorial materials science; High throughput; Materials genome initiative

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AFLOW; BINARY SYSTEMS; COMBINATORIAL MATERIALS SCIENCE; COMPOSITION RANGES; COMPUTATIONAL DATA; EMPIRICAL APPROACH; EXPERIMENTAL DATA; FUNDAMENTAL TOOLS; HIGH-THROUGHPUT; HIGH-THROUGHPUT FRAMEWORK; MATERIALS RESEARCH; METASTABLE STRUCTURES; PRACTICAL REALIZATIONS; SCIENTIFIC COMMUNITY;

CALCULATIONS; ELECTRONIC STRUCTURE; INORGANIC COMPOUNDS; MAGNETIC PROPERTIES; MATERIALS PROPERTIES; METASTABLE PHASES; STRUCTURAL OPTIMIZATION;

INTERFACES (MATERIALS);

EID: 84858989444     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.02.002     Document Type: Article

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