Athens-Clarke County Unified Government, Georgia, United States
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Summary
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Rockstar
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Top School
Justin Turney is a senior software engineer and research scientist with 14+ years building high-performance scientific software at the intersection of computational quantum chemistry, ML, and HPC. He specializes in GPU-accelerated tensor operations, electronic structure methods, and scalable infrastructure for AI-driven simulations, with deep hands-on experience in C++20, CUDA, Python, and distributed systems. Justin has led and co-developed influential open-source tools—Psi4, Einsums, Quax, and QCEngine—contributing advanced MRCC and density-fitted capabilities used by both industry and academia. He combines low-level kernel optimization and numerical algorithm design with API and workflow engineering to deliver production-grade scientific software. Passionate about applying deep learning to accelerate DFT and post-HF methods, he also focuses on creating large, high-fidelity quantum chemistry datasets to power scientific ML. Now at OpenTeams, he seeks cross-disciplinary opportunities that marry ambitious scientific challenges with systems-level software craftsmanship.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Backend Developer & Computational Chemist
Contributions:1 release, 352 reviews, 1147 commits in 10 years 8 months
Contributions summary:Justin contributed to the development of the open-source quantum chemistry package Psi4, specifically within the context of the MRCC (Many-body Rational Coupled Cluster) and density-fitted methods. Their commits indicate a focus on extending the program's functionality for various methods, including the integration of perturbative calculations with ROHF references, the development of specialized integral routines (ERF/ERFC), and code optimization. These contributions suggest that the user is skilled in computational chemistry and is expanding the capabilities of the software.
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Justin Turney - Senior Software Engineer at OpenTeams