Realization of prediction of materials properties by ab initio computer simulation

Bulletin of Materials Science

Volumn 26, Issue 1, 2003, Pages 13-17

  Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Ab initio computer simulation; Materials properties

Indexed keywords

APPROXIMATION THEORY; ATOMS; CARBON NANOTUBES; COMPUTER SIMULATION; DIFFUSION; ELECTRIC CONDUCTANCE; GRAIN BOUNDARIES; MOLECULAR DYNAMICS;

ELECTRON CONDUCTANCE; LOCAL DENSITY APPROXIMATION; MATERIALS PROPERTIES; SUPERCOMPUTING SYSTEMS;

MATERIALS SCIENCE;

EID: 0037288853     PISSN: 02504707     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02712782     Document Type: Article

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