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11 followers · 4 following
  • Justus Liebig University
  • Giessen, Germany

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Achievement: YOLOAchievement: QuickdrawAchievement: Pull Sharkx2

Achievements

Achievement: YOLOAchievement: QuickdrawAchievement: Pull Sharkx2

Organizations

@FermiQC

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sgoodlett/README.md

Profile Information

Recieved PhD in chemistry from the University of Georgia in 2024 under the direction of Prof. Henry F. Schaefer III. Currently a postdoctoral associate at Justus Liebig University under Prof. Peter R. Schreiner.

Interests

  • Quantum Chemistry
  • Potential Energy Surfaces
  • Machine Learning
  • High Efficeincy Computing
  • Non-Abelian Symmetry in Electronic Structure Calculations
  • Tunneling in chemical reactions

Projects

  • MolSym: Python package for symmetry detection and SALC construction for molecules
  • PES-Learn: Automated machine learning for potential energy surface modeling
  • Molecules: A Julia package for handling molecular properties
  • Fermi: A Julia electronic structure package

Contact Info

[email protected]

Pinned Loading

  1. Fermi.jl Fermi.jl Public

    Forked from FermiQC/Fermi.jl

    Fermi quantum chemistry program

    Julia

  2. PES-Learn PES-Learn Public

    Forked from CCQC/PES-Learn

    Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

    Python

  3. Molecules.jl Molecules.jl Public

    Forked from FermiQC/Molecules.jl

    Julia 1

  4. MolSym MolSym Public

    Forked from NASymmetry/MolSym

    I can't believe it's NonAbelian!

    Python