Sean Ryno

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

Baskar Ganapathysubramanian, Shi Li, Chad Risko, 2020, J. Chem. Inf. Model..

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach.

Haitao Sun, Zhenrong Sun, Cheng Zhong, 2016, Journal of chemical theory and computation.