Jonathon Vandezande
Director Of Computational Chemistry
Boston, Massachusetts, United States
Summary
👤
Senior🎓
Top SchoolJonathon Vandezande is Director of Computational Chemistry at Rowan with 12 years of experience building user-friendly quantum chemistry tools that let non-experts leverage DFT, xTB, and neural network potentials. He has led mission-critical QM method development at Schrödinger and delivered accelerated spectroscopy and UV-Vis prediction methods in industry roles, blending deep academic training (PhD in Computational and Quantum Chemistry) with practical product engineering. Jonathon contributes to open-source projects such as cclib, where he improved ORCA parsing and thermochemistry support, reflecting a focus on robust tooling and test-driven development. He has run R&D labs and consulted across materials and medical-device domains, pairing hands-on spectroscopy and analytical skills with software automation. Based in Boston, he’s known for making complex computational workflows accessible to practicing chemists while quietly shipping high-performance methods that scale to industry needs.
12 years of coding experience
6 years of employment as a software developer
University of GeorgiaBS, Chemistry and Math, CS Minor, BS, Chemistry and Math, CS Minor at Calvin College
Stackoverflow
2,466reputation
365kreached
6answers
20questions
python
top-5%
Github Skills (12)
unit-testing10
quantum-chemistry10
computational-chemistry10
python10
algorithm6
drupal6
php6
cookiecutter6
database-design6
fileio6
wget6
database6
Programming languages (10)
Github contributions (5)
cclib/cclib
Jul 2017 - Jun 2018
Parsers and algorithms for computational chemistry logfiles
Role in this project:
Back-end Developer & QA Engineer
Back-end Developer & QA EngineerContributions:36 commits, 14 PRs, 47 comments in 11 months
Contributions summary:Jonathon primarily contributed to the `cclib/cclib` repository by implementing and refining ORCA parser functionality. Their work involved adding, updating, and testing code related to ORCA thermochemistry output, including temperature, enthalpy, entropy, and free energy calculations. The user also added and improved unit tests for these ORCA features, and expanded the parsing to include more complex spectra like TDDFT, ROCIS and dispersion corrections.
logfilescheminformaticspythonchemistryparsers
jevandezande/quantum
Jan 2015 - May 2022
Contributions:55 commits, 33 pushes, 1 branch in 7 years 5 months
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