Vitaly Rassolov

Vitaly Rassolov is a Professor in the Department of Chemistry and Biochemistry at the University of South Carolina, affiliated with the McCausland College of Arts and Sciences. His research focuses on quantum chemistry, theoretical chemistry, and geminal theory. He holds a Ph.D. from the University of Notre Dame (1996) and M.S. degrees from both the Moscow Institute of Physics and Technology (1992) and the University of Notre Dame (1992).

Education:

• M.S., 1992, Moscow Institute of Physics and Technology
• M.S., 1992, University of Notre Dame
• Ph.D., 1996, University of Notre Dame

Research Interests: Dr. Rassolov's work centers on three main areas:

1. Geminal Theory: Development of the Antisymmetrized Product of Singlet-type Strongly Orthogonal Geminals (APSSG/SSG) method for modeling electron correlation in transition metal chemistry and reaction barriers.
2. Semiclassical Dynamics: Advancements in Bohmian trajectory-based methods for efficient quantum nuclear dynamics simulations.
3. Correlation Operator Approach: Utilizing linear operators to model electron correlation effects in single-determinant wavefunctions.

Publications: His recent work explores topics such as machine learning in molecular stability analysis, photoswitch dynamics, and nuclear quantum effects in molecular systems. Over 150 publications reflect his contributions to geminal theory, semiclassical dynamics, and density functional modeling.

Labs: His research is conducted in labs located at GSRC 401B and GSRC 422, focusing on computational and theoretical studies.