A separable shadow Hamiltonian hybrid Monte Carlo method
نویسندگان
چکیده
منابع مشابه
A separable shadow Hamiltonian hybrid Monte Carlo method.
Hybrid Monte Carlo (HMC) is a rigorous sampling method that uses molecular dynamics (MD) as a global Monte Carlo move. The acceptance rate of HMC decays exponentially with system size. The shadow hybrid Monte Carlo (SHMC) was previously introduced to reduce this performance degradation by sampling instead from the shadow Hamiltonian defined for MD when using a symplectic integrator. SHMC's perf...
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Abstract. keywords: Sampling methods; Hybrid Monte Carlo; Symplectic integrator; Shadow Hamiltonian; Conformational sampling.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3253687