Jie Bao successfully defended his Ph. D. thesis entitled “Developing a Model Chemistry for Multiconfiguration Pair-Density Functional Theory to Study Photochemistry and Molecular Interactions.” Congratulations Jie! Jie will remain in the Truhlar group as a postdoc. The figure illustrates Jie’s ABC scheme for automatic active space selection for excited-state calculations.
January 29, 2021