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 (28)
cheminformatics10
proteins10
quantum-mechanics9
materials-informatics9
python9
rdkit9
bioinformatics9
chemistry9
quantum-computing8
espn8
sports-data8
quantum-chemistry8
api7
physics6
electron6
Programming languages (4)
Github contributions (5)
gayverjr/pyemap
Jul 2019 - Aug 2022
Python package aimed at automatic identification of electron and hole transfer pathways in proteins.
Contributions:10 releases, 88 commits, 88 PRs in 3 years 1 month
proteinspythonpathwayselectronbioinformatics
gayverjr/opencap
Jan 2020 - Sep 2022
Contributions:10 releases, 5 reviews, 368 commits in 2 years 8 months
moleculeschemistryquantum-mechanicsmetastable-electronic-stateselectronic
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