Benjamin Peyton
Postdoctoral Research Associate
Michigan, United States
Summary
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Rockstar🎓
Top SchoolBenjamin Peyton is a postdoctoral research associate specializing in wavefunction-based electronic structure theory and molecular response properties, with nine years of experience bridging method development and practical computation. Currently at Michigan State University after earning a PhD in Theoretical Chemistry from Virginia Tech, he focuses on reduced-scaling model chemistries, fragmentation schemes, and integrating machine learning to accelerate quantum-chemical predictions. An active contributor to the prominent open-source Psi4 project, he has improved response modules to output specific rotation and polarizability tensors and enhanced project documentation. Equally comfortable in C++ and Python, he combines deep theoretical rigor with pragmatic software engineering to make complex electronic-structure tools more efficient and usable.
9 years of coding experience
6 years of employment as a software developer
Doctor of Philosophy - PhD, Theoretical Chemistry, Doctor of Philosophy - PhD, Theoretical Chemistry at Virginia TechBachelor’s Degree, Chemical Physics, Bachelor’s Degree, Chemical Physics at Mississippi CollegeChemistry, Chemistry at Southwest Tennessee Community College
Github Skills (6)
chemistry10
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
python9
Programming languages (5)
Github contributions (5)
psi4/psi4
Nov 2017 - Sep 2021
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Back-end Developer
Back-end DeveloperContributions:30 reviews, 26 commits, 7 PRs in 3 years 11 months
Contributions summary:Benjamin's contributions primarily focused on enhancing the functionality of the electronic structure package. They made modifications to the `ccresponse` module, adding capabilities to dump specific rotation values, and polarizability tensor data. Additionally, they implemented changes that involved adding new entries to the glossary and including autodoc-er comments for documentation. These changes improve data handling and enable the generation of documentation.
physicschemistrypythonquantum-computingelectronic-structure
CrawfordGroup/n_body
Oct 2017 - Feb 2020
Testing the n_body plugin code. Work in progress.
Contributions:24 PRs, 97 pushes, 26 branches in 2 years 4 months
testingin-progressbodyn-bodywork-in-progress
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