State reduction in molecular simulations

Computers and Chemical Engineering

Volumn 51, Issue , 2013, Pages 102-110

  Xue, Yuzhen ^a   Ludovice, Peter J ^a   Grover, Martha A ^a   Nedialkova, Lilia V ^b   Dsilva, Carmeline J ^b   Kevrekidis, Ioannis G ^b,c  

^a Georgia Institute of Technology   (United States)

^b Princeton University   (United States)

^c PRINCETON UNIVERSITY   (United States)

Author keywords

Data mining; Diffusion Maps; Local Feature Analysis; Model reduction; Principal Component Analysis

Indexed keywords

DATA-MINING TOOLS; DIFFUSION MAPS; ILLUSTRATIVE EXAMPLES; LARGE SYSTEM; LOCAL FEATURE ANALYSIS; MODEL REDUCTION; MOLECULAR SIMULATIONS; STATE REDUCTION;

CHEMICAL ENGINEERING; COMPUTER APPLICATIONS; DATA MINING;

PRINCIPAL COMPONENT ANALYSIS;

EID: 84874017363     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2012.06.029     Document Type: Article

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