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Free-energy calculation for rotating systems using the Monte Carlo method

โœ Scribed by F. Calvo


Book ID
108312509
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
132 KB
Volume
291
Category
Article
ISSN
0009-2614

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โœ Malek O. Khan; Gareth Kennedy; Derek Y. C. Chan ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 234 KB

## Abstract We present a method of parallelizing flat histogram Monte Carlo simulations, which give the free energy of a molecular system as an output. In the serial version, a constant probability distribution, as a function of any system parameter, is calculated by updating an external potential