Edward G. Hohenstein

SLAC National Accelerator Laboratory — United States

Physics and Astronomy · Physical Sciences

49h-index14.9kcitations116works3.82yr avg
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Research Topics

Advanced Chemical Physics Studies(50), Spectroscopy and Quantum Chemical Studies(41), Photochemistry and Electron Transfer Studies(17), Crystallography and molecular interactions(15), Advanced NMR Techniques and Applications(12)

Publications116 total

Accelerating CCSD(T) on Graphical Processing Units (GPUs)
The Journal of Physical Chemistry A·2026
Accelerating CCSD(T) on Graphical Processing Units (GPUs)
arXiv (Cornell University)·2025Open Access
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Quantum·2024· 15 citedOpen Access
Data for Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning
The Journal of Physical Chemistry A·2023· 15 citedOpen Access
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning
2023· 1 citedOpen Access
1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
2023· 4 citedOpen Access
1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
Research Square (Research Square)·2023Open Access
Ultrafast internal conversion and photochromism in gas-phase salicylideneaniline
The Journal of Chemical Physics·2023· 12 citedOpen Access
Ultrafast internal conversion and photochromism in gas-phase salicylideneaniline
arXiv (Cornell University)·2023Open Access
Data for Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
2023· 2 citedOpen Access
Efficient quantum analytic nuclear gradients with double factorization
The Journal of Chemical Physics·2023· 14 citedOpen Access
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client–server model
The Journal of Chemical Physics·2023· 21 citedOpen Access
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
arXiv (Cornell University)·2022· 6 citedOpen Access
TeraChem Protocol Buffers (TCPB): Accelerating QM and QM/MM Simulations with a Client-Server Model
2022· 2 citedOpen Access
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
arXiv (Cornell University)·2022· 3 citedOpen Access
I<scp>ntera</scp>C<scp>hem</scp>: Exploring Excited States in Virtual Reality with <i>Ab Initio</i> Interactive Molecular Dynamics
Journal of Chemical Theory and Computation·2022· 7 citedOpen Access
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes
The Journal of Chemical Physics·2022· 46 citedOpen Access
Rank-reduced coupled-cluster III. Tensor hypercontraction of the doubles amplitudes
arXiv (Cornell University)·2021Open Access
GPU acceleration of rank-reduced coupled-cluster singles and doubles
The Journal of Chemical Physics·2021· 16 citedOpen Access
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Frequent Co-authors

C. David Sherrill(29), Todd J. Martı́nez(23), Robert M. Parrish(18), Sara Kokkila-Schumacher(6), Rollin A. King(5), Lori A. Burns(5), Henry F. Schaefer(5), Justin M. Turney(5), Nathan Luehr(5), Andrew C. Simmonett(4), Francesco A. Evangelista(4), Tait Takatani(4), Christoph Bannwarth(4), B. Scott Fales(4), James W. Snyder(4), Ivan S. Ufimtsev(4), Daniel G. A. Smith(3), A. Eugene DePrince(3), Uğur Bozkaya(3), Alexander Yu. Sokolov(3)