Use of umbrella sampling in the calculation of the potential of the mean force for silicon surface oxidation
โ Scribed by Kazuo Teraishi; Akira Endou; Isao Gunji; Momoji Kubo; Akira Miyamoto; Masahiro Kitajima
- Book ID
- 117219413
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 325 KB
- Volume
- 426
- Category
- Article
- ISSN
- 0039-6028
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## Abstract We describe the implementation of an adaptive umbrella sampling method, making use of the weighted histogram analysis method, for computing multidimensional potential of mean force for chemical reaction in solution. The approach is illustrated by investigating the effect of aqueous solu
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