Eric J Berquist

7PUBLICATIONS
39CO-AUTHORS
Programming languagesTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterAnalytical spectrometry
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Publications (7)

|Jul 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistry.

Eric Berquist, Amanda Dumi, Shiv Upadhyay

|Jul 25, 2024
A new parameterization of the DFT/CIS method with applications to core-level spectroscopy.

Aniket Mandal, Eric J Berquist, John M Herbert

|Nov 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening.

Felix Zeller, Eric Berquist, Evgeny Epifanovsky

|May 27, 2021
CH Mode Mixing Determines the Band Shape of the Carboxylate Symmetric Stretch in Apo-EDTA, Ca2+-EDTA, and Mg2+-EDTA.

Sunayana Mitra, Keith Werling, Eric J Berquist

|May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

Daniel G A Smith, Lori A Burns, Dominic A Sirianni

|Dec 31, 2016
Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

Eric J Berquist, Clyde A Daly, Thomas Brinzer

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Frequent Collaborators

3 joint publications

Sean Garrett-Roe

2 joint publications

Steven A Corcelli

2 joint publications

Daniel S Lambrecht

2 joint publications

Thomas Brinzer