Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Recoil growth algorithm for chain molecules with continuous interactions

Recoil growth algorithm for chain molecules with continuous interactions  [Pg.25]

An important disadvantage of CBMC is that in the growth of the chain, only one step ahead is examined, which means that one cannot avoid that the growth of the chain may lead into a dead-end street . To compensate for this high attrition rate in the chain construction, one is forced to use a large number of trial directions. For hard-core interactions, this leads to a broad distribution of the Rosenbluth weight and therefore low acceptcmce rates [111]. [Pg.25]

The purpose of this study is to extend the RG algorithm to off-lattice chain molecules with continuous interactions. Although the algorithm is inspired by the one for hard-core interactions, there are severed important differences in the construction of the edgorithm. [Pg.26]


Consta, S., Vlugt, T.J.H., Hoeth, J.W., Smit, B., Frenkel, D. Recoil growth algorithm for chain molecules with continuous interactions. Mol. Phys. 1999, 97, 1243-54. [Pg.75]




SEARCH



Algorithm for

Chain interactions

Chain-Growth

Interaction with chain

Molecule interaction

Recoil

Recoil-growth

Recoiling

© 2024 chempedia.info