Jeremy R. Phifer

Computing MOSCED parameters of nonelectrolyte solids with electronic structure methods in SMD and SM8 continuum solvents

Jeremy R. Phifer, Kimberly J. Solomon, Kayla Young et al. · AIChE Journal · 2016 · 21 citations

Sm8 Continuum Solvents, Solvent Extraction, Engineering +19

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

Sebastian Diaz-Rodriguez, Samantha M. Bozada, Jeremy R. Phifer et al. · Journal of Computer-Aided Molecular Design · 2016 · 19 citations

Engineering, Cyclohexane/water Distribution Coefficients, Sampl5 Challenge +6

Predicting the equilibrium solubility of solid polycyclic aromatic hydrocarbons and dibenzothiophene using a combination of MOSCED plus molecular simulation or electronic structure calculations

Jeremy R. Phifer, Courtney Cox, Larissa Ferreira da Silva et al. · Molecular Physics · 2017 · 16 citations

Engineering, Computational Chemistry, Chemistry +18

Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection

Courtney Cox, Jeremy R. Phifer, Larissa Ferreira da Silva et al. · Journal of Computer-Aided Molecular Design · 2017 · 15 citations

Solvent Formulation, Chemical Engineering, Engineering +12