Dr. A. Eugene DePrince III, Professor

Professional Preparation/Appointments

Ph.D. University of Chicago (2009)
Postdoc, Argonne National Laboratory (2010-2011)
Postdoc, Georgia Institute of Technology (2011-2013)

Contact Information

Email deprince@chem.fsu.edu
Office 3005 CSL 850.645.1291
Lab 4806 CSL  

Programs of Research


Research Specialties

Computational Chemistry

Research Interest

High-quality electronic structure software is an essential component of modern chemical research, and open-source software is particularly valuable. Our primary research efforts are dedicated to the development of open-source tools for modeling the electronic structure of complex molecules and materials. In particular, we develop computationally affordable methods for the accurate description of strongly correlated electrons and explicitly time-dependent light-matter interactions.

Faculty Interview


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S. H. Yuwono and A. E. DePrince III, N-representability violations in truncated equation-of-motion coupled-cluster methods. J. Chem. Phys. 2023 159, 054113.
S. H. Yuwono, B. C. Cooper, T. Zhang, X. Li, and A. E. DePrince III, Time-dependent equation-of-motion coupled-cluster theory simulations with a defective Hamiltonian. J. Chem. Phys. 2023, 159, 044113.
N. Vu, G. M. McLeod, K. Hanson, and A. E. DePrince III, Enhanced diastereocontrol via strong light-matter interactions in an optical cavity. J. Phys. Chem. A 2022, 126, 9303-9312.
R. R. Li, N. C. Rubin, and A. E. DePrince III, Challenges for variational reduced-density-matrix theory: Total angular momentum constraints. J. Chem. Theory Comput. 2022, 18, 5966-5977.
M. D. Liebenthal, N. Vu, and A. E. DePrince III, Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment. J. Chem. Phys. 2022, 156, 054105.