Finding the atomic configuration with a required physical property in multi-atom structures

Journal of Physics Condensed Matter

Volumn 19, Issue 40, 2007, Pages

  D'Avezac, Mayeul ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ALLOYING ELEMENTS; CRYSTAL LATTICES; ENERGY GAP; GLOBAL OPTIMIZATION; MOLECULAR STRUCTURE; PALLADIUM ALLOYS; PHYSICAL PROPERTIES; SILVER ALLOYS; SOLID STATE DEVICE STRUCTURES;

ATOMIC CONFIGURATION; BRAVAIS LATTICE; DIVERSITY-ENHANCING CONSTRAINTS; ENERGY-MINIMIZING DECORATION; GLOBAL-SEARCH GENETIC-ALGORITHM APPROACH; MULTI-ATOM STRUCTURES; RECIPROCAL-SPACE MATING; VIRTUAL-ATOM APPROACH;

CRYSTAL ATOMIC STRUCTURE;

EID: 34648835104     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/40/402201     Document Type: Article

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