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Cover Image, Volume 35, Issue 17
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23647
Subject(s) - cover (algebra) , computer science , extension (predicate logic) , code (set theory) , image (mathematics) , statistical physics , citation , probabilistic logic , algorithm , theoretical computer science , artificial intelligence , physics , programming language , library science , set (abstract data type) , engineering , mechanical engineering
An extension of a multiscale code MBN Explorer is developed by Mikhail Panshenskov, Ilia A. Solov'yov, and Andrey V. Solov'yov on page 1317 (DOI: 10.1002/jcc.23613 ), providing a universal approach to the study of selfassembly phenomena in biology and nanoscience. In particular, this extension involves a highly‐parallelized module of MBN Explorer that allows the simulation of stochastic processes using the kinetic Monte Carlo approach in a threedimensional space. The method permits the study of dynamics of processes occurring on long time scales, for example, milliseconds to hours. Instead of propagating individual atoms in time, as in molecular dynamics, it models the evolution of a molecular coarse‐grained system in a probabilistic way.