Lumping analysis for the prediction of long-time dynamics: From monomolecular reaction systems to inherent structure dynamics of glassy materials

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Lempesis, Nikolaos ^a   Tsalikis, Dimitrios G ^b   Boulougouris, Georgios C ^a,b,c,d   Theodorou, Doros N ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^b UNIVERSITY OF PATRAS   (Greece)

^c DEMOCRITUS UNIVERSITY OF THRACE   (Greece)

^d INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; DISCRETE DYNAMICAL SYSTEMS; FIRST-ORDER KINETIC REACTION; GLASSY MATERIALS; GLOBAL OPTIMUM; HIGH-DIMENSIONAL; INHERENT STRUCTURES; LENNARD-JONES MIXTURES; LIMITING EQUILIBRIUM; LOCAL MINIMUMS; LONG-TIME DYNAMICS; LUMPED SYSTEM; MASTER EQUATIONS; MOLECULAR DYNAMICS TRAJECTORIES; MONOMOLECULAR REACTIONS; MONTE CARLO SIMULATION; ORIGINAL SYSTEMS; PLOT ANALYSIS; REDUCTION PROCESS; SINGULAR VALUES; SLOW DYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; DYNAMICAL SYSTEMS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DISTRIBUTIONS; RATE CONSTANTS; REACTION KINETICS;

DYNAMICS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; KINETICS; MONTE CARLO METHOD; PHASE TRANSITION;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; MONTE CARLO METHOD; PHASE TRANSITION;

EID: 82555182734     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3663207     Document Type: Article

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