Combined electronic structure and evolutionary search approach to materials design

Physical Review Letters

Volumn 88, Issue 25, 2002, Pages 2555061-2555065

  Johannesson G H ^a   Bligaard, T ^a   Ruban, A V ^a   Skriver, H L ^a   Jacobsen, K W ^a   Norskov J K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; BINARY ALLOYS; ELECTRONIC STRUCTURE; ENTHALPY; INTERMETALLICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; SUPERALLOYS;

GENERALIZED GRADIENT APPROXIMATION (GGA); MATERIAL DESIGN;

MATERIALS SCIENCE;

EID: 0037166835     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.88.255506     Document Type: Article

References (24)