Calculations for millions of atoms with density functional theory: Linear scaling shows its potential

Journal of Physics Condensed Matter

Volumn 22, Issue 7, 2010, Pages

  Bowler, D R ^a   Miyazaki, T ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATION THEORY;

DFT CALCULATION; FIXED NUMBERS; LINEAR SCALING; MODERN HIGH PERFORMANCE; PROCESSOR CORES; SCALING BEHAVIOURS;

DENSITY FUNCTIONAL THEORY;

ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; QUANTUM THEORY; THEORETICAL MODEL;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, THEORETICAL; QUANTUM THEORY;

EID: 77957587959     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/7/074207     Document Type: Review

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