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    • Jeffrey Wagner

    7 results in Authors: Jeffrey Wagner

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

    Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

    , Authors: Yudong Qiu, Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan, Trevor Gokey, Victoria T. Lim, Chaya Stern, Andrea Rizzi, Xavier Lucas, Bryon Tjanaka, Michael R. Shirts, Michael Gilson, John Chodera, Christopher I. Bayly, David Mobley, Lee-Ping Wang
    Version 4 posted 09 August 2021
    1,944
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    1
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    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Collaborative assessment of molecular geometries and energies from the Open Force Field

    , Authors: Lorenzo D'Amore, David Hahn, David Dotson, Joshua Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David Mobley, Arjun Narayanan, Christina Schindler, William Swope, Pieter in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern
    Version 1 posted 04 November 2022
    461
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

    , Authors: Simon Boothroyd, Pavan Kumar Behara, Owen Madin, David Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey Wagner, Joshua Horton, David Dotson, Matthew Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel Cole, Michael Gilson, John Chodera, Christopher Bayly, Michael Shirts, David Mobley
    Version 2 posted 10 January 2023
    1,467
    Downloads
    2
    Citations