Literature DB >> 17280187

First-passage Monte Carlo algorithm: diffusion without all the hops.

Tomas Opplestrup1, Vasily V Bulatov, George H Gilmer, Malvin H Kalos, Babak Sadigh.   

Abstract

We present a novel Monte Carlo algorithm for N diffusing finite particles that react on collisions. Using the theory of first-passage processes and time dependent Green's functions, we break the difficult N-body problem into independent single- and two-body propagations circumventing numerous diffusion hops used in standard Monte Carlo simulations. The new algorithm is exact, extremely efficient, and applicable to many important physical situations in arbitrary integer dimensions.

Mesh:

Year:  2006        PMID: 17280187     DOI: 10.1103/PhysRevLett.97.230602

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  15 in total

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9.  The small-voxel tracking algorithm for simulating chemical reactions among diffusing molecules.

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Journal:  J Chem Phys       Date:  2014-12-21       Impact factor: 3.488

10.  Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems.

Authors:  Margaret E Johnson; Gerhard Hummer
Journal:  Phys Rev X       Date:  2014 Jul-Sep       Impact factor: 15.762

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