The simulation-tabulation method for classical diffusion Monte Carlo

DOI10.1006/JCPH.2001.6947MaRDI QIDQ5957393zbMATH OpenOpenAlexWikidataFDO

Authors Chi-Ok Hwang, James A. Given, Michael Mascagni

Publication date 6 March 2002

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1006/jcph.2001.6947

zbMATH Keywords

algorithmsdiffusion Monte Carlo methodsdiffusion-limited protein-ligand bindingdisordered two-phase domainsfirst-passageGreen's functionLaplace equationPoisson equationsimulation-tabulation methodSolc-Stockmayer modelwalk on spheres

Mathematics Subject Classification ID

Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation (35J05) Monte Carlo methods (65C05) Boundary element methods for boundary value problems involving PDEs (65N38) Protein sequences, DNA sequences (92D20)

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Cites work

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• Functional Integration and Partial Differential Equations. (AM-109)
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• Integral and probabilistic representations for systems of elliptic equations
• On the rapid estimation of permeability for porous media using Brownian motion paths
• Potential theory for infinitely divisible processes on Abelian groups
• Raid diffusion Monte Carlo algorithms for fluid dynamic permeability
• Regional Monte Carlo solution of elliptic partial differential equations
• Some Continuous Monte Carlo Methods for the Dirichlet Problem

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• \(\varepsilon\)-shell error analysis for ``walk on spheres algorithms
• Analysis and comparison of Green's function first-passage algorithms with ``Walk on spheres algorithms.
• A Feynman-Kac path-integral implementation for Poisson's equation using an h-conditioned Green's function
• A diffusion Monte Carlo method for charge density on a conducting surface at non-constant potentials
• scientific article; zbMATH DE number 3885190 (Why is no real title available?)
• First- and last-passage algorithms in diffusion Monte Carlo
• A study of three-dimensional edge and corner problems using the nebem solver
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• The random walk on the boundary method for calculating capacitance
• A first-passage kinetic Monte Carlo algorithm for complex diffusion-reaction systems

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