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Eric J. Berquist, Ph.D. - Publications

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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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Berquist EJ, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.656
2021 Mitra S, Werling K, Berquist EJ, Lambrecht DS, Garrett-Roe S. 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. PMID 34042451 DOI: 10.1021/acs.jpca.1c03061  0.678
2018 Smith DGA, Burns LA, Sirianni DA, Nascimento DR, Kumar A, James AM, Schriber JB, Zhang T, Zhang B, Abbott AS, Berquist EJ, Lechner MH, Cunha LA, Heide AG, Waldrop JM, et al. Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of Chemical Theory and Computation. PMID 29771539 DOI: 10.1021/Acs.Jctc.8B00286  0.408
2017 Brinzer T, Berquist EJ, Ren Z, Dutta S, Johnson CA, Krisher CS, Lambrecht DS, Garrett-Roe S. 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. PMID 28764336 DOI: 10.1063/1.4995447  0.704
2016 Berquist EJ, Daly CA, Brinzer T, Bullard KK, Campbell ZM, Corcelli SA, Garrett-Roe S, Lambrecht DS. Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations. The Journal of Physical Chemistry. B. PMID 28036175 DOI: 10.1021/Acs.Jpcb.6B09489  0.727
2016 Daly CA, Berquist EJ, Brinzer T, Garrett-Roe S, Lambrecht DS, Corcelli SA. Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map. The Journal of Physical Chemistry. B. 120: 12633-12642. PMID 27973844 DOI: 10.1021/Acs.Jpcb.6B09509  0.716
2015 Brinzer T, Berquist EJ, Ren Z, Dutta S, Johnson CA, Krisher CS, Lambrecht DS, Garrett-Roe S. 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. PMID 26049445 DOI: 10.1063/1.4917467  0.725
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Berquist E, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.476
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