A separable shadow Hamiltonian hybrid Monte Carlo method

Journal of Chemical Physics

Volumn 131, Issue 17, 2009, Pages

  Sweet, Christopher R ^a   Hampton, Scott S ^b   Skeel, Robert D ^c   Izaguirre, Jesús A ^a  

^a University of Notre Dame   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c Purdue University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCEPTANCE RATE; FOURTH ORDER; HYBRID MONTE CARLO; HYBRID MONTE-CARLO METHODS; MONTE CARLO; NONSEPARABLE; NUMERICAL EXPERIMENTS; PERFORMANCE DEGRADATION; SAMPLING METHOD; SECOND ORDERS; SYMPLECTIC INTEGRATORS; SYSTEM SIZE;

MOLECULAR DYNAMICS; MONTE CARLO METHODS;

HAMILTONIANS;

WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; THERMODYNAMICS;

MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; THERMODYNAMICS; WATER;

EID: 70449427442     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3253687     Document Type: Article

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