Ab initio molecular dynamics simulations with linear scaling: Application to liquid ethanol

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Tsuchida, Eiji ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANOL; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS (AIMD) SIMULATION; DYNAMICAL PROPERTIES; LINEAR SCALING; LIQUID ETHANOL;

DYNAMICS;

EID: 47249135379     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294212     Document Type: Conference Paper

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