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11 followers · 3 following

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Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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ebylaska/README.md
  • 👋 Hi, I’m @ebylaska.
  • 🧑‍🔬 I work as a physical chemist.
  • 👀 I’m developing
    • 🔬 plane-wave electronic structure methods,
    • ✨periodic and aperiodic plane-wave many-body approaches✨,
    • 🤖 chemical workflow methods,
    • and 📺 visualization tools.
  • 🌱 I’m interested in chemical reaction networks and the development of tools to model and interpret them.
  • ✍️ I'm currently learning how to derive DFPT and CPHF derivatives.
  • 💞️ I’m looking to collaborate on testing the aperiodic and periodic COVOs methods.
  • 📫 How to reach me is at eric.bylaska@pnnl.gov.

Pinned Loading

  1. nwchemgit/nwchem nwchemgit/nwchem Public

    NWChem: Open Source High-Performance Computational Chemistry

    Fortran 512 162

  2. nwchemgit/nwchem-wiki nwchemgit/nwchem-wiki Public

    NWChem Documentation

    TeX 31 24

  3. nwchemgit/nwchemgit.github.io nwchemgit/nwchemgit.github.io Public

    NWChem web site

    HTML 1

  4. TinyArrows TinyArrows Public

    TinyArrows is a tiny version of EMSL Arrows

    JavaScript 5

  5. PWDFT PWDFT Public

    Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software

    Fortran 15 7

  6. nwchem-FCI nwchem-FCI Public

    Forked from duosong/nwchem-FCI

    Duo's FCI

    Fortran