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Eric Berquist

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The Journal of Chemical Physics|November 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screeningFelix Zeller, Eric Berquist, Evgeny Epifanovsky, et al.
Molecular Physics|July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific DomainsJagna Witek, Joseph P Heindel, Xingyi Guan, et al.
The Journal of Chemical Physics|July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistryEric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
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Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|November 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screeningFelix Zeller, Eric Berquist, Evgeny Epifanovsky, et al.
Molecular Physics|July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific DomainsJagna Witek, Joseph P Heindel, Xingyi Guan, et al.
The Journal of Chemical Physics|July 25, 2024
cclib 2.0: An updated architecture for interoperable computational chemistryEric Berquist, Amanda Dumi, Shiv Upadhyay, et al.
Pageof 1