Quasi-boundary based on exchange symmetry theory for multilevel simulations

Molecular Simulation

Volumn 41, Issue 10-12, 2015, Pages 827-831

  Shiga, Motoyuki ^a   Masia, Marco ^b  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

^b UNIVERSITY OF SASSARI   (Italy)

Author keywords

exchange symmetry; molecular dynamics; QM MM

Indexed keywords

MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM THEORY;

ADDITIONAL COSTS; BIAS POTENTIAL; DIFFUSIVE SYSTEM; MULTILEVEL SIMULATION; QM/MM; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; STATIC PROPERTIES; SYMMETRY THEORIES;

COMPUTATION THEORY;

EID: 84931011399     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2014.938068     Document Type: Conference Paper

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