Edward G Hohenstein

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 21

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

The Journal of chemical physics

The journal of physical chemistry. B

SLAC National Accelerator Laboratory

Georgia Institute of Technology (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

SLAC National Accelerator Laboratory

United States

Senior Staff Scientist

City College of New York

United States

Assistant Professor :: Chemistry and Biochemistry

Education History

Georgia Institute of Technology

United States

PHD :: Chemistry

Washington College

United States

BSC

Publications

Bhaskar Rana, Edward G Hohenstein, Todd J Martinez
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The journal of physical chemistry. A (2023)
Bhaskar Rana, Edward G Hohenstein, Todd J Martinez
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The journal of physical chemistry. A 128 (1) (2023)
Edward G Hohenstein, Oumarou Oumarou, Rachael Al-Saadon, Gian-Luca R Anselmetti, Maximilian Scheurer, Christian Gogolin, Robert M Parrish
Efficient quantum analytic nuclear gradients with double factorization. The Journal of chemical physics 158 (11) (2023)
Vinícius Wilian D Cruzeiro, Yuanheng Wang, Elisa Pieri, Edward G Hohenstein, Todd J Martinez
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model. The Journal of chemical physics 158 (4) (2023)
Yuanheng Wang, Stefan Seritan, Dean Lahana, Jason E Ford, Alessio Valentini, Edward G Hohenstein, Todd J Martinez
InteraChem: Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics. Journal of chemical theory and computation 18 (6) (2022)
Edward G Hohenstein, Jimmy K Yu, Christoph Bannwarth, Nanna Holmgaard List, Alexander C Paul, Sarai Dery Folkestad, Eirik F Kjønstad, Todd J Martinez
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory. Journal of chemical theory and computation 17 (11) (2021)
Jana L van den Berg, Kallie Ilene Neumann, John A Harrison, Hayley Weir, Edward G Hohenstein, Todd J Martinez, Richard N Zare
Strong, Nonresonant Radiation Enhances Cis-Trans Photoisomerization of Stilbene in Solution. The journal of physical chemistry. A 124 (29) (2020)
Hayley Weir, Monika Williams, Robert M Parrish, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning. The journal of physical chemistry. B 124 (26) (2020)
Jimmy K Yu, Christoph Bannwarth, Ruibin Liang, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States. Journal of the American Chemical Society 142 (49) (2020)
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M James, Susi Lehtola, Jonathon P Misiewicz, Maximilian Scheurer, Robert A Shaw, Jeffrey B Schriber, Yi Xie, Zachary L Glick, Dominic A Sirianni, Joseph Senan O'Brien, Jonathan M Waldrop, Ashutosh Kumar, Edward G Hohenstein, Benjamin P Pritchard, Bernard R Brooks, Henry F Schaefer, Alexander Yu Sokolov, Konrad Patkowski, A Eugene DePrince Iii, Uğur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of chemical physics 152 (18) (2020)
B Scott Fales, Ethan R Curtis, K Grace Johnson, Dean Lahana, Stefan Seritan, Yuanheng Wang, Hayley Weir, Todd J Martinez, Edward G Hohenstein
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures. Journal of chemical theory and computation 16 (7) (2020)
Jimmy K Yu, Christoph Bannwarth, Edward G Hohenstein, Todd J Martinez
Ab Initio Nonadiabatic Molecular Dynamics with Hole-Hole Tamm-Dancoff Approximated Density Functional Theory. Journal of chemical theory and computation 16 (9) (2020)
Edward G Hohenstein, Yao Zhao, Robert M Parrish, Todd J Martinez
Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles. The Journal of chemical physics 151 (16) (2019)
Shiela Pijeau, Donneille Foster, Edward G Hohenstein
Effect of Nonplanarity on Excited-State Proton Transfer and Internal Conversion in Salicylideneaniline. The journal of physical chemistry. A 122 (25) (2018)
B Scott Fales, Yinan Shu, Benjamin G Levine, Edward G Hohenstein
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors. The Journal of chemical physics 147 (9) (2018)
Shiela Pijeau, Edward G Hohenstein
Improved Complete Active Space Configuration Interaction Energies with a Simple Correction from Density Functional Theory. Journal of chemical theory and computation 13 (3) (2017)
Shiela Pijeau, Donneille Foster, Edward G Hohenstein
Excited-State Dynamics of a Benzotriazole Photostabilizer: 2-(2'-Hydroxy-5'-methylphenyl)benzotriazole. The journal of physical chemistry. A 121 (34) (2017)
Shiela Pijeau, Donneille Foster, Edward G Hohenstein
Excited-State Dynamics of 2-(2'-Hydroxyphenyl)benzothiazole: Ultrafast Proton Transfer and Internal Conversion. The journal of physical chemistry. A 121 (24) (2017)
Daniel Hollas, Lukáš Šištík, Edward G Hohenstein, Todd J Martínez, Petr Slavíček
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method. Journal of chemical theory and computation 14 (1) (2017)
B Scott Fales, Edward G Hohenstein, Benjamin G Levine
Robust and Efficient Spin Purification for Determinantal Configuration Interaction. Journal of chemical theory and computation 13 (9) (2017)
Robert M Parrish, Lori A Burns, Daniel G A Smith, Andrew C Simmonett, A Eugene DePrince, Edward G Hohenstein, Uğur Bozkaya, Alexander Yu Sokolov, Roberto Di Remigio, Ryan M Richard, Jérôme F Gonthier, Andrew M James, Harley R McAlexander, Ashutosh Kumar, Masaaki Saitow, Xiao Wang, Benjamin P Pritchard, Prakash Verma, Henry F Schaefer, Konrad Patkowski, Rollin A King, Edward F Valeev, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability. Journal of chemical theory and computation 13 (7) (2017)

Edward G Hohenstein.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Edward G Hohenstein