Description
Software illustrating the algorithms outlined in the following publication: Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble A. Poursaeidesfahani, A. Torres-Knoop, D. Dubbeldam, T.J.H. Vlugt Journal of Chemical Theory and Computation, 2016, 12, 1481-1490. http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b01230
| Date made available | 21 Apr 2016 |
|---|---|
| Publisher | TU Delft - 4TU.ResearchData |
| Date of data production | 2016 - |
Research output
- 1 Article
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Direct free Energy calculation in the continuous fractional component Gibbs ensemble
Poursaeidesfahani, A., Torres-Knoop, A., Dubbeldam, D. & Vlugt, T., 2016, In: Journal of chemical theory and computation. 12, 4, p. 1481-1490Research output: Contribution to journal › Article › Scientific › peer-review
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