Francesco Evangelista
Professor at Emory University
Atlanta, Georgia, United States
Summary
🤩
RockstarFrancesco Evangelista is a professor of computational chemistry and software developer with 14 years of experience bridging academic research and open-source engineering. Based in Atlanta, he has progressed through faculty ranks at Emory University after postdoctoral work at Yale and Johannes Gutenberg University Mainz, developing and mentoring research programs. He contributes to major scientific software—most notably improving the Mk-MRCCSD(T) implementation in the widely used Psi4 quantum chemistry package—tackling numerical precision and correctness in C++ back-end code. His work combines deep theoretical knowledge with pragmatic coding skills, resolving subtle energy-calculation bugs and integrating contributions from collaborators. Colleagues rely on him for rigorous reproducibility and careful validation of computational methods, and he brings that same attention to detail to both research and software maintenance.
14 years of coding experience
10 years of employment as a software developer
Github Skills (11)
algorithm10
algorithms10
quantum-chemistry10
c-language10
computational-chemistry10
cprogramming-language10
numerical10
numerical-methods10
numeric10
chemistry8
fortran3
Programming languages (5)
Github contributions (5)
psi4/psi4
Mar 2012 - Nov 2021
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Role in this project:
Back-end Developer
Back-end DeveloperContributions:28 reviews, 249 commits, 49 PRs in 9 years 9 months
Contributions summary:Francesco primarily focused on fixing and improving the Mk-MRCCSD(T) code within the Psi4 electronic structure package. Their contributions involved identifying and correcting bugs related to energy calculations, including fixing an issue with the Mk-MRCCSD code that caused disagreements with previous versions. They also merged branches from other contributors, indicating a role in integrating code changes. These changes involved modifying C++ code and addressing numerical precision issues to ensure accurate results.
physicschemistrypythonquantum-computingelectronic-structure
fevangelista/forte
May 2021 - Jan 2023
Contributions:185 pushes, 38 branches in 1 year 8 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.