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    • Eugen Hruska

    3 results in Eugen Hruska in Authors: Eugen Hruska

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    AutoSolvate: A Toolkit for Automating Quantum Chemistry Design and Discovery of Solvated Molecules

    , Authors: Eugen Hruska, Ariel Gale, Xiao Huang, Fang Liu

    558
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Bridging the experiment-calculation divide: machine learning corrections to redox potential calculations in implicit and explicit solvent models

    , Authors: Eugen Hruska, Ariel Gale, Fang Liu

    421
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Quantum Chemistry for Molecules at Extreme Pressure on Graphical Processing Units: Implementation of Extreme Pressure Polarizable Continuum Model

    , Authors: Ariel Gale, Eugen Hruska, Fang Liu

    350
    Downloads
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