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
Vlugt, T. J. H. (Creator) (21 Apr 2016). Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble. TU Delft - 4TU.ResearchData. 10.4121/UUID:14E501BC-2408-41BC-90D5-5F4588604849