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Efficient Simulation of Binary Adsorption Isotherms Using Transition Matrix Monte Carlo

โœ Scribed by Chen, Haibin; Sholl, David S.

Book ID
127050335
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
147 KB
Volume
22
Category
Article
ISSN
0743-7463

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## Abstract An efficient combination of the Wangโ€Landau and transition matrix Monte Carlo methods for protein and peptide simulations is described. At the initial stage of simulation the algorithm behaves like the Wangโ€Landau algorithm, allowing to sample the entire interval of energies, and at the