Solving the low dimensional smoluchowski equation with a singular value basis set

Journal of Computational Chemistry

Volumn 31, Issue 13, 2010, Pages 2428-2433

  Scott, Gregory ^a   Gruebele, Martin ^a,b,c  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b University of Illinois at Urbana Champaign   (United States)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Fokker Planck equation; Free energy surface; Genetic algorithm; Protein folding; Singular value decomposition

Indexed keywords

ACTIVATION BARRIERS; BASIS SETS; COMPUTATIONAL TIME; DENSITY MATRIX; EQUILIBRIUM DENSITY; EQUILIBRIUM VALUE; FREE ENERGY SURFACE; GRID SIZE; LOW DIMENSIONAL; MULTIPROBES; PROPAGATION METHOD; SINGULAR VALUES; SMOLUCHOWSKI EQUATION; SPEED-UPS; TEMPERATURE JUMP;

FOKKER PLANCK EQUATION; FREE ENERGY; GENETIC ALGORITHMS; PROBABILITY DISTRIBUTIONS; PROTEIN FOLDING; QUANTUM THEORY; REACTION KINETICS; THERMODYNAMICS; TIME SWITCHES; TIMING JITTER;

SINGULAR VALUE DECOMPOSITION;

ALGORITHM; ARTICLE; COMPUTER SIMULATION; KINETICS; TEMPERATURE; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; TEMPERATURE; THERMODYNAMICS;

EID: 77957557422     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21535     Document Type: Article

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