← back to search

A. Eugene DePrince

Georgia Institute of Technology · US
🔎 Find collaborators in Atomic and Molecular Physics, and Optics · Materials Chemistry →
Search 5.9M scientists by topic, h-index, country & funding — free.
Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Computer science, Interoperability, Python (programming language), Workflow, Software, and Open source.
h-index
citations
2,675
works
7
NIH funding
primary concept
email

Recent publications

Relativistic two-component double ionization potential equation-of-motion coupled cluster with the Dirac–Coulomb–Breit Hamiltonian
The Journal of Chemical Physics 2025cited by 8position: lastdoi
Two-component relativistic equation-of-motion coupled cluster for electron ionization
The Journal of Chemical Physics 2025cited by 8position: lastdoi
Automated Quantum Chemistry Code Generation with the <tt>p</tt><sup><tt>†</tt></sup><tt>q</tt> Package
The Journal of Physical Chemistry A 2025cited by 7position: lastdoi
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Journal of Chemical Theory and Computation 2025cited by 5position: middledoi
Comparing perturbative and commutator-rank-based truncation schemes in unitary coupled-cluster theory
Molecular Physics 2025cited by 4position: lastdoi
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
The Journal of Physical Chemistry A 2025cited by 4position: firstdoi
Numerically exact configuration interaction at quadrillion-determinant scale
Nature Communications 2025cited by 3position: middledoi
Fast Quantum Simulation of Electronic Structure by Spectral Amplification
Physical Review X 2025cited by 3position: middledoi
The orientation dependence of cavity-modified chemistry
The Journal of Chemical Physics 2024cited by 20position: lastdoi
Variational determination of the two‐electron reduced density matrix: A tutorial review
Wiley Interdisciplinary Reviews Computational Molecular Science 2024cited by 15position: firstdoi
Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
The Journal of Physical Chemistry A 2024cited by 12position: middledoi
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
The Journal of Physical Chemistry A 2024cited by 7position: lastdoi
<i>Ab initio</i> methods for polariton chemistry
Chemical Physics Reviews 2023cited by 57position: lastdoi
Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories
The Journal of Physical Chemistry A 2023cited by 38position: lastdoi
Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals
PRX Quantum 2023cited by 32position: middledoi
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 2023cited by 16position: lastdoi
Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
The Journal of Physical Chemistry Letters 2023cited by 9position: middledoi
Time-dependent equation-of-motion coupled-cluster simulations with a defective Hamiltonian
The Journal of Chemical Physics 2023cited by 7position: lastdoi
Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory
Journal of Chemical Theory and Computation 2023cited by 5position: middledoi
<i>N</i>-representability violations in truncated equation-of-motion coupled-cluster methods
The Journal of Chemical Physics 2023cited by 3position: lastdoi
Fault-tolerant quantum simulation of materials using Bloch orbitals
arXiv (Cornell University) 2023cited by 3position: middledoi
Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
The Journal of Chemical Physics 2022cited by 49position: lastdoi
Enhanced Diastereocontrol via Strong Light–Matter Interactions in an Optical Cavity
The Journal of Physical Chemistry A 2022cited by 48position: lastdoi
Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar’s Sextets
Journal of the American Chemical Society 2022cited by 32position: middledoi
Reduced-density-matrix-based <i>ab initio</i> cavity quantum electrodynamics
Physical review. A/Physical review, A 2022cited by 26position: lastdoi
Fast-forwarding quantum simulation with real-time quantum Krylov subspace algorithms
Physical review. A/Physical review, A 2022cited by 10position: middledoi
Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints
Journal of Chemical Theory and Computation 2022cited by 3position: lastdoi
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
The Journal of Chemical Physics 2021cited by 96position: firstdoi
<tt>p</tt> † <tt>q</tt> : a tool for prototyping many-body methods for quantum chemistry
Molecular Physics 2021cited by 23position: lastdoi
Challenges for variational reduced-density-matrix theory with three-particle <i>N</i>-representability conditions
The Journal of Chemical Physics 2021cited by 19position: lastdoi

Grants

No grants ingested yet.

Frequent collaborators

Daniel R. Nascimento · Georgia Institute of Technology11 papers (2014–2021)Xiaosong Li · Nanchang University11 papers (2019–2025)Run R. Li · Florida State University10 papers (2019–2025)Marcus D. Liebenthal · Pacific Northwest National Laboratory9 papers (2020–2025)Lauren N. Koulias · Florida State University9 papers (2019–2025)Stephen H. Yuwono · Michigan State University9 papers (2023–2025)Mohammad Mostafanejad · Virginia Tech7 papers (2018–2020)Elvis Maradzike · Oak Ridge National Laboratory7 papers (2017–2020)Nam Vu · Florida State University6 papers (2019–2025) · 6 papers (2016–2019)Tianyuan Zhang · University of Washington6 papers (2023–2025) · 6 papers (2021–2025)Evgeny Epifanovsky · IonQ (United States)4 papers (2018–2019)J. Wayne Mullinax · University of Georgia4 papers (2018–2019)Alec F. White · University of California, Berkeley3 papers (2023–2025)Dominic W. Berry · University of Waterloo3 papers (2023–2025)David B. Williams‐Young · Lawrence Berkeley National Laboratory3 papers (2019–2023)Jonathan J. Foley · University of North Carolina at Charlotte3 papers (2018–2025)Edward F. Valeev · University of Tennessee at Knoxville3 papers (2019–2024)Ryan Babbush · Google (United States)3 papers (2023–2025)
Looking for a research collaborator?
Search millions of scientists by field, institution, impact, and funding status — see their work, find their email, and reach out directly.
Find collaborators in Atomic and Molecular Physics, and Optics · Materials Chemistry →