David Poole
Software Engineer at Georgia Institute of Technology
Michigan, United States
Summary
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Rockstar🎓
Top SchoolDavid Poole is a software engineer with 8 years of experience applying physical chemistry and advanced mathematics to high-performance scientific software. He has driven reduced-scaling algorithms and performance optimizations in the open-source Psi4 quantum chemistry package, implementing incremental Fock builds and GPU-enabled exchange matrix support to accelerate electronic structure calculations. As a postdoc at Georgia Tech and a graduate researcher at Ames Laboratory, he built MPI/GPU-enabled RHF implementations and prototyped JuliaChem to explore Julia for electronic structure workloads. Based in Michigan, he blends deep domain knowledge in quantum chemistry with practical systems engineering to deliver maintainable, high-performance C++/Python tooling. An often-overlooked strength is his focus on test frameworks and reproducible interfaces that make advanced algorithms accessible to the broader community.
8 years of coding experience
5 years of employment as a software developer
Doctor of Philosophy - PhD, Physical Chemistry, Doctor of Philosophy - PhD, Physical Chemistry at Iowa State UniversityBachelor of Science - BS, Chemistry, Bachelor of Science - BS, Chemistry at University of Michigan-Flint
Github Skills (8)
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
python10
pytest9
testing9
openmp6
Programming languages (6)
Github contributions (5)
psi4/psi4
Jun 2022 - Dec 2022
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Backend Developer
Backend DeveloperContributions:342 reviews, 7 commits, 52 PRs in 5 months
Contributions summary:David primarily refactored and enhanced density screening functionalities within the Psi4 quantum chemistry package, a C++ based project utilizing Python. Their contributions involved modifying core C++ code, specifically within the `DirectJK`, `DFJLinK`, and `DFJCOSK` modules, and adapting testing scripts in Python (`test_erisieve.py`). This work included implementing and standardizing incremental Fock build (IncFock) techniques for improved efficiency, reflecting a focus on performance optimization and code maintainability.
physicschemistrypythonquantum-computingelectronic-structure
davpoolechem/JuliaChem.jl
Jan 2019 - Apr 2021
A research-grade quantum chemistry program written in Julia
Contributions:859 commits, 69 PRs, 479 pushes in 2 years 3 months
chemistryquantum-computinggradequantum-chemistryquantum
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