Uğur Bozkaya
Professor at Hacettepe Üniversitesi
Ankara, Ankara, Turkey
Summary
🤩
Rockstar🎓
Top SchoolUğur Bozkaya is a professor of theoretical chemistry and computational electronic-structure developer with 13 years of postdoctoral and faculty experience, based in Ankara. He specializes in efficient implementations of correlated electronic-structure methods—orbital-optimized theories, analytic gradients and Hessians, and density-fitted approximations—and has a track record of integrating these advances into the open-source Psi4 quantum chemistry package. His work spans low-level C++ and Python-driven back-end development, memory- and integral-management optimizations, and parallel DF-MP2/DF-SCF algorithms that make high-accuracy methods more practical. A researcher who moves seamlessly between theory and production code, he has contributed novel implementations such as DF-MP2.5 energies and (T) corrections while mentoring students and collaborating internationally.
13 years of coding experience
16 years of employment as a software developer
Ph.D., Theoretical Chemistry, Ph.D., Theoretical Chemistry at Middle East Technical University
Github Skills (6)
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
p29
mpeg9
Programming languages (1)
Github contributions (4)
psi4/psi4
Nov 2012 - Sep 2017
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Back-end Developer
Back-end DeveloperContributions:286 commits, 8 PRs, 42 pushes in 4 years 10 months
Contributions summary:Uğur's commits focused on implementing and improving core features within the Psi4 quantum chemistry package. They modified existing C++ code, primarily within the `src/bin/occ` directory, to implement the (T) correction and introduce the DF-MP2.5 energy and analytic gradients. These modifications involved adjustments to integral calculations, Hamiltonian generation, and other low-level computational steps. They made changes to various files to manage memory usage.
physicschemistrypythonquantum-computingelectronic-structure
qclo/psi4public
Nov 2012 - Jan 2014
Contributions:95 commits in 1 year 2 months
Find and Hire Top DevelopersWe’ve analyzed the programming source code of over 60 million software developers on GitHub and scored them by 50,000 skills. Sign-up on Prog,AI to search for software developers.