2023 VWSCC Session 08: Solvent Models
Presented by John Herbert on
In this talk, Prof. John Herbert (Ohio State University) discusses implicit solvation models available in Q-Chem. He covers the basic theory of dielectric boundary conditions as they relate to implicit solvation models (including PCM and SMx models), and goes on to discusses two applications: absolute solvation energies and nonequilibrium methods.
This talk was given as part of the 2023 VWSCC Q-Chem Workshop and is reposted here with permission.