Sparse interpolatory reduced-order models for simulation of light-induced molecular transformations

Optimization Methods and Software

Volumn 29, Issue 2, 2014, Pages 264-273

  Mokrauer, David ^a   Kelley, C T ^b  

^a BAE SYSTEMS   (United States)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Error estimation and control; Molecular dynamics; Sparse interpolation

Indexed keywords

ERROR ESTIMATION AND CONTROL; INTERPOLATORY; LIGHT-INDUCED; LOCAL ERROR ESTIMATION; MOLECULAR EXCITATIONS; MOLECULAR TRANSFORMATION; REDUCED ORDER MODELS;

INTERPOLATION; MOLECULAR DYNAMICS;

COMPUTER SIMULATION;

EID: 84888339256     PISSN: 10556788     EISSN: 10294937     Source Type: Journal    
DOI: 10.1080/10556788.2012.693928     Document Type: Article

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