GSHMC

MaRDI QIDQ15170swMATHFDO

Official website http://www.sciencedirect.com/science/article/pii/S0021999108000533

Described by source

• GSHMC: An efficient method for molecular simulation

Cited in

(13)

• Langevin dynamics with constraints and computation of free energy differences
• Combining stochastic and deterministic approaches within high efficiency molecular simulations
• A Metropolis adjusted Nosé-Hoover thermostat
• Metropolis integration schemes for self-adjoint diffusions
• Extra chance generalized hybrid Monte Carlo
• On the estimation and correction of discretization error in molecular dynamics averages
• Modified Hamiltonian Monte Carlo for Bayesian inference
• Erratum to ``A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
• ProtoMol
• A patch that imparts unconditional stability to explicit integrators for Langevin-like equations
• Multiple-time-stepping generalized hybrid Monte Carlo methods
• A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
• Pathwise accuracy and ergodicity of metropolized integrators for SDEs

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