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- W1577772767 abstract "This chapter describes advanced Monte Carlo methods for the atomistic simulation of polymers with a linear or a non-linear molecular architecture. The chapter illustrates that MC algorithms are the most recently developed ones based on chain connectivity altering moves, which offer the opportunity of thoroughly equilibrating the polymeric system at all relevant length scales. The chapter reviews the most important of these moves by presenting how they are implemented in simulations of polyethylene (PE) or polyemethylene-like systems, depending on the molecular architecture of the constituent chain molecules. The chapter also describes in brief the type of molecular models commonly adopted in these simulations. It also investigates how connectivity altering MC moves are implemented in simulations of a number of model PE systems of either a linear or a non-linear molecular architecture." @default.
- W1577772767 created "2016-06-24" @default.
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- W1577772767 date "2006-01-01" @default.
- W1577772767 modified "2023-10-14" @default.
- W1577772767 title "Advanced Monte Carlo Methods for the atomistic simulation of polymers with a linear or a non-linear molecular architecture" @default.
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- W1577772767 doi "https://doi.org/10.1016/s1570-7946(06)80004-0" @default.
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