James Gayvert
Technical Lead at PostEra
Milwaukee, Wisconsin, United States
Summary
👤
Senior🎓
Top SchoolJames Gayvert is a technical lead and scientific software developer with 8 years of experience at the intersection of computational chemistry and production software, currently guiding engineering efforts at PostEra. He holds a PhD in Theoretical Chemistry from Boston University, where he developed computational tools for electron transfer in proteins and studied metastable electronic states—expertise he translates into robust scientific software. His background blends chemistry and computer science (BS), hands-on simulation work at NIST, and open-source projects on GitHub focused on theoretical and computational chemistry. Known for turning complex physical models into maintainable code, he brings both domain rigor and practical engineering to teams building drug-discovery and molecular modeling tools.
8 years of coding experience
2 years of employment as a software developer
Bachelor of Science - BS Chemistry Computer Science, Bachelor of Science - BS Chemistry Computer Science at Le Moyne CollegeDoctor of Philosophy - PhD Theoretical Chemistry, Doctor of Philosophy - PhD Theoretical Chemistry at Boston University
Github Skills (25)
quantum-mechanics10
chemistry10
python-modules10
python9
rdkit9
cheminformatics9
espn8
quantum-chemistry7
sports-data7
api7
electron6
physics5
periodic5
python-interface5
computational-chemistry4
Programming languages (5)
Github contributions (5)
gayverjr/pyemap
Jul 2019 - Aug 2022
Python package aimed at automatic identification of electron and hole transfer pathways in proteins.
Contributions:11 releases, 88 commits, 90 PRs in 3 years 1 month
electronpython
gayverjr/opencap
Jan 2020 - Sep 2022
An open source program for the description of metastable electronic states in molecules.
Contributions:12 releases, 5 reviews, 368 commits in 2 years 8 months
moleculeschemistryquantum-mechanicsmetastable-electronic-stateselectronic
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