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dbmagers/README.md

Brandon Magers, PhD

LinkedIn

Hello! I'm a chemistry professor and department chair at Belhaven University in Jackson, Mississippi. My academic background lies in computational chemistry, particularly in electronic structure theory and its application to small and medium-sized molecules. I use ab initio and density functional theory (DFT) methods to investigate molecular geometries, spectral properties, and relative energetics.


Teaching and Code

I actively incorporate programming and data analytics into my teaching, particularly in the areas of chemistry, scientific computing, and data visualization. This GitHub profile serves as a place to share:

  • Teaching materials and example scripts for students
  • Utility scripts used in computational chemistry workflows (e.g., Psi4, NWChem)
  • Data analysis tools written in Python and used in the classroom or for academic projects

Background

  • Position: Chair and Professor of Chemistry at Belhaven University
  • Expertise: Computational chemistry, electronic structure theory, Python scripting, undergraduate education
  • Tools Used: Psi4, NWChem, Python, Jupyter, Mathematica, Excel

Popular repositories Loading

  1. psi4education psi4education Public

    Forked from Psi4Education/psi4education

    Psi4Education Labs

    Jupyter Notebook

  2. comp-chem comp-chem Public

    Various scripts for undergraduate research students

    Python 2

  3. mass-batch mass-batch Public

    Python 1

  4. MaST MaST Public

    MC Math & Science Tournament control script

    Python

  5. dbmagers dbmagers Public

  6. cclib cclib Public

    Forked from cclib/cclib

    Parsers and algorithms for computational chemistry logfiles

    Python