Matthew Hennefarth
Quantum Solutions Computational Chemist
Palo Alto, California, United States
Summary
🤩
Rockstar🎓
Top SchoolMatthew Hennefarth is a Quantum Solutions Computational Chemist at PsiQuantum with nine years of experience bridging theoretical chemistry, computational methods, and software development. He holds a Ph.D. and M.S. in theoretical chemistry from the University of Chicago and a B.S. in Physical Chemistry and Pure Mathematics from UCLA, and has built multireference electronic-structure and molecular dynamics tools (including a Velocity Verlet integrator) within PySCF to model photodynamics and catalytic reactions. His work combines high-level ab initio methods, machine learning for enhanced sampling, and practical software engineering—evidenced by contributions to open-source projects like PySCF and data-visualization improvements to Matplot++. Based in Palo Alto, he brings deep domain knowledge of conical intersections, protein electrostatics, and mixed QM/MD workflows, plus a track record of turning research-grade theory into robust, shareable code.
9 years of coding experience
6 years of employment as a software developer
Doctor of Philosophy - PhD, Theoretical Chemistry, 4.0, Doctor of Philosophy - PhD, Theoretical Chemistry, 4.0 at University of ChicagoBachelor of Science (B.S.), Physical Chemistry, 3.97, Bachelor of Science (B.S.), Physical Chemistry, 3.97 at University of California, Los Angeles
English, Spanish
Github Skills (18)
data-visualizations10
quantum-chemistry10
c-language10
python10
molecular-simulation10
charts10
color-mapping10
data-visualisation10
chartjs10
charting10
molecular-dynamics-simulation10
nonlinear-dynamics10
data-visualization10
cprogramming-language10
data-analysis10
Programming languages (9)
Github contributions (5)
pyscf/pyscf
Apr 2022 - Dec 2022
Python module for quantum chemistry
Role in this project:
Back-end Developer
Back-end DeveloperContributions:19 reviews, 54 commits, 10 PRs in 7 months
Contributions summary:Matthew's commits focus on implementing a molecular dynamics integrator within the PySCF quantum chemistry library. They initiated files for this functionality, implemented a Velocity Verlet integrator, and refined the algorithm over multiple commits. The user made several updates to the integrator, including modifications to the core calculation and the output format. The work involved in the molecular dynamics components, specifically the integrator, suggests a back-end focus.
pythonchemistryquantum-computingpython-modulequantum-chemistry
alandefreitas/matplotplusplus
May 2021 - May 2021
Matplot++: A C++ Graphics Library for Data Visualization 📊🗾
Role in this project:Data Scientist
Data ScientistContributions:11 reviews, 21 commits, 2 PRs in 4 days
Contributions summary:Matthew primarily focused on enhancing the data visualization capabilities of the Matplot++ library. Their commits added features for color mapping and normalization within the vector fields, along with some minor interface changes. They also implemented a 3D quiver plot example and fixed scaling issues in the vector plots, improving the overall visual representation of data.
chartsdata-analysischarting-librarydata-sciencegraphics-library
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