Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation

Journal of the Physical Society of Japan

Volumn 72, Issue 11, 2003, Pages 2880-2885

  Geshi, Masaaki ^a   Hoshi, Takeo ^a   Fujiwara, Takeo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Order N method; Parallel computation; Silicon nanocrystal; Tight binding Hamiltonian

Indexed keywords

SILICON;

ANALYTIC METHOD; ARTICLE; CALCULATION; CHEMICAL BINDING; ELASTICITY; MOLECULAR DYNAMICS; QUANTUM THEORY; SIMULATION; STRUCTURE ANALYSIS;

EID: 0346264860     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.72.2880     Document Type: Article

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