Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble

Datacite citation style:
Vlugt, Thijs (2016): Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:14e501bc-2408-41bc-90d5-5f4588604849
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

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

History

  • 2016-04-21 first online, published, posted

Publisher

TU Delft

Format

media types: application/x-bzip2

Organizations

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering: Process and Energy

DATA

Files (1)