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The primary objective of this work is to develop coarse-graining
schemes for stochastic many-body microscopic models and quantify their
effectiveness in terms of a priori and a posteriori error analysis. In
this paper we focus on stochastic lattice systems of
interacting particles at equilibrium.
The proposed algorithms are derived from an initial coarse-grained
approximation that is directly computable by Monte Carlo simulations,
and the corresponding numerical error is calculated using the...
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,...
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