A new model for the transport of particles in a thermostatted system.
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Combining stochastic and deterministic approaches within high efficiency molecular simulations
Bruno Escribano, Elena Akhmatskaya, Jon Mujika (2013)
Open Mathematics
Generalized Shadow Hybrid Monte Carlo (GSHMC) is a method for molecular simulations that rigorously alternates Monte Carlo sampling from a canonical ensemble with integration of trajectories using Molecular Dynamics (MD). While conventional hybrid Monte Carlo methods completely re-sample particle’s velocities between MD trajectories, our method suggests a partial velocity update procedure which keeps a part of the dynamic information throughout the simulation. We use shadow (modified) Hamiltonians,...
The umbral transfer-matrix method. III: Counting animals.
Zeilberger, Doron (2001)
The New York Journal of Mathematics [electronic only]
Currently displaying 1 – 3 of 3
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