Simulation of surface processes

Proceedings of the National Academy of Sciences of the United States of America

Volumn 108, Issue 3, 2011, Pages 944-949

  Jónsson, Hannes ^a  

^a UNIVERSITY OF ICELAND   (Iceland)

Author keywords

Adaptive kinetic Monte Carlo; Long time scale; Orbital density dependent functionals

Indexed keywords

ACCURACY; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DIFFUSION; ELECTRONICS; ENERGY; KOHN SHAM DENSITY; MATHEMATICAL COMPUTING; MONTE CARLO METHOD; MOTION; PHASE TRANSITION; PRIORITY JOURNAL; QUANTUM MECHANICS; REVIEW; SURFACE PROPERTY; VIBRATION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY;

TITANIUM; TITANIUM DIOXIDE;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; MONTE CARLO METHOD; SURFACE PROPERTIES; TITANIUM;

EID: 79551646074     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1006670108     Document Type: Review

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