Simulations of light-induced molecular transformations in multiple dimensions with incremental sparse surrogates

Journal of Algorithms and Computational Technology

Volumn 6, Issue 4, 2012, Pages 577-592

  Mokrauer, David ^a   Kelley, C ^b   Bykhovski, Alexei ^c  

^a BAE SYSTEMS   (United States)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

^c North Carolina State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2-BUTENE; CONFORMATIONAL TRANSFORMATIONS; ENERGY CALCULATION; GRIDPOINTS; MOLECULAR TRANSFORMATION; MULTIPLE DIMENSIONS; SINGLE DEGREE OF FREEDOMS; TRANSITION PATHS;

BUTENES; POTENTIAL ENERGY FUNCTIONS;

ALGORITHMS;

EID: 84870032945     PISSN: 17483018     EISSN: 17483026     Source Type: Journal    
DOI: 10.1260/1748-3018.6.4.577     Document Type: Article

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