First-passage Monte Carlo algorithm: Diffusion without all the hops

被引:97
作者
Opplestrup, Tomas [1 ]
Bulatov, Vasily V.
Gilmer, George H.
Kalos, Malvin H.
Sadigh, Babak
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] Royal Inst Technol, KTH, S-10044 Stockholm, Sweden
关键词
D O I
10.1103/PhysRevLett.97.230602
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
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页数:4
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