Eric Berquist

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Natural Sciences, Chemistry, Physics +17

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

P <scp>si</scp> 4N <scp>um</scp> P <scp>y</scp> : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · Journal of Chemical Theory and Computation · 2018 · 158 citations

Natural Sciences, Chemistry, Computational Chemistry +14

Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide’s point of view

Thomas Brinzer, Eric Berquist, Zhe Ren et al. · The Journal of Chemical Physics · 2015 · 85 citations

Natural Sciences, Chemistry, Physics +17

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · ChemRxiv · 2018 · 32 citations · Full text

Natural Sciences, Chemistry, Computer Science +13