SERC MD seminar: First-passage kinetic Monte Carlo method.

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The next Molecular Dynamics seminar will be given by Dr. Tomas Oppelstrup from Lawrence Livermore National Lab.

Title: First-passage kinetic Monte Carlo method
Time: 15th November 2012, 15:15
Place: FB52, AlbaNova University Center

Abstract: We unveil a principally new Monte Carlo algorithm for simulations of
multiple diffusing particles of finite dimensions that coalesce or
annihilate on collisions. The algorithm is derived from the theory of
first-passage processes and a time-dependent Green’s function
formalism. The new method circumvents the need for long and tedious
sequences of diffusion hops by which the particles find each other in
space. At the same time, the algorithm is exact and its computational
efficiency is astonishing.