Eric J. Berquist, Ph.D.

Affiliations: 
2007-2012 Chemistry and Chemical Biology Northeastern University, Boston, MA, United States 
 2012-2018 Chemistry University of Pittsburgh, Pittsburgh, PA, United States 
 2018-2020 Information Sciences Institute USC 
 2020-2023 Q-Chem, Inc 
 2023- Sandia National Laboratories 
Area:
Information extraction, neural coreference, speech recognition
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Parents

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David E. Budil research assistant 2011-2012 Northeastern University
Daniel S. Lambrecht grad student 2012-2018 University of Pittsburgh
 (Decomposition of Intermolecular Interactions in Ab Initio Spectroscopy)
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Publications

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Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801
Mitra S, Werling K, Berquist EJ, et al. (2021) CH Mode Mixing Determines the Band Shape of the Carboxylate Symmetric Stretch in Apo-EDTA, Ca-EDTA, and Mg-EDTA. The Journal of Physical Chemistry. A
Smith DGA, Burns LA, Sirianni DA, et al. (2018) Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of Chemical Theory and Computation
Brinzer T, Berquist EJ, Ren Z, et al. (2017) Erratum: "Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view" [J. Chem. Phys. 142, 212425 (2015)]. The Journal of Chemical Physics. 147: 049901
Berquist EJ, Daly CA, Brinzer T, et al. (2016) Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations. The Journal of Physical Chemistry. B
Daly CA, Berquist EJ, Brinzer T, et al. (2016) Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map. The Journal of Physical Chemistry. B. 120: 12633-12642
Brinzer T, Berquist EJ, Ren Z, et al. (2015) Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide's point of view. The Journal of Chemical Physics. 142: 212425
Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215
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