Monte Carlo Methods for Calculating Some Physical Properties of Large Molecules
DOI10.1137/S1064827503422221zbMath1075.65003MaRDI QIDQ4652328
Nikolai A. Simonov, Michael Mascagni
Publication date: 25 February 2005
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1137/s1064827503422221
diffusion; Monte Carlo method; Laplace equation; random walk; reaction rate; electrostatic energy; finite-difference approximations; molecule; walk on spheres
65C05: Monte Carlo methods
92C45: Kinetics in biochemical problems (pharmacokinetics, enzyme kinetics, etc.)
35J05: Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation
65N06: Finite difference methods for boundary value problems involving PDEs
78A30: Electro- and magnetostatics
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