SCOPUS 정보 검색 플랫폼

Volumn 129, Issue 1, 2008, Pages

Essential energy space random walks to accelerate molecular dynamics simulations: Convergence improvements via an adaptive-length self-healing strategy

(2) Zheng, Lianqing a Yang, Wei a

a FLORIDA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMAL MAPPING; DYNAMICS; FREE ENERGY; HEALTH; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; PLANNING; QUANTUM CHEMISTRY; SAMPLING; STRATEGIC PLANNING;

(LIQUID + LIQUID) EQUILIBRIUM; ACCELERATED MOLECULAR DYNAMICS; AMERICAN INSTITUTE OF PHYSICS (AIP); CONVERGENCE (MATHEMATICS); ENERGY SPACES; ENHANCED SAMPLING; EQUILIBRIUM ANALYSIS; FREE ENERGY FUNCTIONS; FREE ENERGY SURFACE (FES); METADYNAMICS; MODEL STUDIES; MOLECULAR DYNAMICS SIMULATIONS (MDS); NON EQUILIBRIUM; RANDOM WALK (RW); RECURSION; SELF HEALING (SH); UMBRELLA SAMPLING; WEIGHTED HISTOGRAM ANALYSIS METHOD (WHAM);

CONVERGENCE OF NUMERICAL METHODS;

ARTICLE; COMPUTER SIMULATION; FEASIBILITY STUDY; SURFACE PROPERTY; THERMODYNAMICS; TIME;

COMPUTER SIMULATION; FEASIBILITY STUDIES; SURFACE PROPERTIES; THERMODYNAMICS; TIME FACTORS;

EID: 46749137495 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2949815 Document Type: Article

Times cited : (26)

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