A. Eugene DePrince

Florida State University — United States

Physics and Astronomy · Physical Sciences

32h-index6.5kcitations118works4.62yr avg
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Research Topics

Advanced Chemical Physics Studies(60), Spectroscopy and Quantum Chemical Studies(43), Machine Learning in Materials Science(21), Photochemistry and Electron Transfer Studies(13), Advanced NMR Techniques and Applications(13)

Publications117 total

Numerically exact configuration interaction at quadrillion-determinant scale
Nature Communications·2025Open Access
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Journal of Chemical Theory and Computation·2025· 3 citedOpen Access
Relativistic two-component double ionization potential equation-of-motion coupled cluster with the Dirac–Coulomb–Breit Hamiltonian
The Journal of Chemical Physics·2025· 4 cited
Fast Quantum Simulation of Electronic Structure by Spectral Amplification
Physical Review X·2025· 2 citedOpen Access
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
The Journal of Physical Chemistry A·2025
Automated Quantum Chemistry Code Generation with the <tt>p</tt><sup><tt>†</tt></sup><tt>q</tt> Package
The Journal of Physical Chemistry A·2025· 5 cited
Comparing perturbative and commutator-rank-based truncation schemes in unitary coupled-cluster theory
Molecular Physics·2025· 3 cited
Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
ArXiv.org·2025Open Access
Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory
arXiv (Cornell University)·2025Open Access
Two-component relativistic equation-of-motion coupled cluster for electron ionization
The Journal of Chemical Physics·2025· 7 cited
The orientation dependence of cavity-modified chemistry
The Journal of Chemical Physics·2024· 17 cited
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
The Journal of Physical Chemistry A·2024· 6 cited
Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
The Journal of Physical Chemistry A·2024· 11 cited
Relativistic coupled cluster with completely renormalized and perturbative triples corrections
arXiv (Cornell University)·2024Open Access
Variational determination of the two‐electron reduced density matrix: A tutorial review
Wiley Interdisciplinary Reviews Computational Molecular Science·2024· 11 cited
Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory
Journal of Chemical Theory and Computation·2023· 4 citedOpen Access
Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials
arXiv (Cornell University)·2023· 2 citedOpen Access
Single Reference Treatment of Strongly Correlated H<sub>4</sub> and H<sub>10</sub> Isomers with Richardson–Gaudin States
Journal of Chemical Theory and Computation·2023· 14 cited
Variational Determination of the Two-Electron Reduced Density Matrix: A Tutorial Review
arXiv (Cornell University)·2023Open Access
<i>Ab initio</i> methods for polariton chemistry
Chemical Physics Reviews·2023· 53 citedOpen Access
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Frequent Co-authors

C. David Sherrill(10), Daniel R. Nascimento(9), Henry F. Schaefer(7), Justin M. Turney(7), David A. Mazziotti(7), Lori A. Burns(6), Daniel G. A. Smith(6), Andrew C. Simmonett(6), Andrew M. James(6), Ashutosh Kumar(6), Konrad Patkowski(6), Rollin A. King(6), Francesco A. Evangelista(6), Jeffrey B. Schriber(5), Dominic A. Sirianni(5), Robert M. Parrish(4), Edward G. Hohenstein(4), Uğur Bozkaya(4), Alexander Yu. Sokolov(4), Roberto Di Remigio(4)