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Multi-stage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods
Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of ...
Adapting Hybrid Monte Carlo methods for solving complex problems in life and materials sciences
Efficient sampling is the key to success of molecular simulation of complex physical systems. Still, a unique recipe for achieving this goal is unavailable. Hybrid Monte Carlo (HMC) is a promising sampling tool offering a ...