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  • McMaster University
  • Hamilton, Canada
  • 19:02 (UTC -03:00)

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Achievements

Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2

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  1. theochem/ModelHamiltonian theochem/ModelHamiltonian Public

    Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.

    Python 26 16

  2. theochem/Selector theochem/Selector Public

    Methods for selecting diverse (molecular) database.

    Jupyter Notebook 22 20

  3. QC-Edu/IntroQM QC-Edu/IntroQM Public

    Introduction to Quantum Mechanics for Chemists

    HTML 29 4

  4. theochem/PyCI theochem/PyCI Public

    A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.

    C++ 13 9