Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach

Shi Li, Balaji Sesha Sarath Pokuri, Sean M. Ryno, Asare Nkansah, Camron De'vine, Baskar Ganapathysubramanian, Chad M. Risko. Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach. Journal of Chemical Information and Computer Sciences, 60(3):1424-1431, 2020. [doi]

@article{LiPRNDGR20,
  title = {Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach},
  author = {Shi Li and Balaji Sesha Sarath Pokuri and Sean M. Ryno and Asare Nkansah and Camron De'vine and Baskar Ganapathysubramanian and Chad M. Risko},
  year = {2020},
  doi = {10.1021/acs.jcim.9b01113},
  url = {https://doi.org/10.1021/acs.jcim.9b01113},
  researchr = {https://researchr.org/publication/LiPRNDGR20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {3},
  pages = {1424-1431},
}