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Adaptive Splitting Integrators for Enhancing Sampling Efficiency of Modified Hamiltonian Monte Carlo Methods in Molecular Simulation 

Akhmatskaya E.; Fernández-Pendás M.; Radivojevic T.; Sanz-Serna J. M. (Langmuir, 2017-10-24)
The modified Hamiltonian Monte Carlo (MHMC) methods, i.e., importance sampling methods that use modified Hamiltonians within a Hybrid Monte Carlo (HMC) framework, often outperform in sampling efficiency standard techniques ...

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AuthorAkhmatskaya E. (1)Fernández-Pendás M. (1)Radivojevic T. (1)Sanz-Serna J. M. (1)Subject
Hybrid Monte Carlo (1)
importance sampling (1)modified Hamiltonians (1)
molecular dynamics (1)
numerical integrators (1)... View MoreDate Issued2017 (1)

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