Edoardo Aprà
Scientist at Pacific Northwest National Laboratory
Richland, Washington, United States
Summary
🤩
Rockstar🎓
Top SchoolEdoardo Aprà is a seasoned scientist with 31 years of experience in theoretical chemistry and parallel computing, currently based at Pacific Northwest National Laboratory. He has a strong track record in high-performance computational chemistry, contributing key fixes and features to the open-source NWChem project and maintaining its packaging in the widely used Spack ecosystem. His career spans senior research and R&D roles at national laboratories and academia, underpinned by a PhD in Physical Chemistry from Università degli Studi di Torino. Known for bridging deep theoretical methods (DFT, MP2) with practical software engineering, he routinely solves compiler and dependency challenges that enable scalable scientific software on diverse HPC platforms.
31 years of coding experience
10 years of employment as a software developer
high school, Science, high school, Science at Leonardo da Vinci TorinoPh. D., Physical Chemistry, Ph. D., Physical Chemistry at Università degli Studi di Torino
English, Italian
Github Skills (17)
c-language10
python10
fortran10
computational-chemistry10
package-manager-tool10
package-manager10
cprogramming-language10
numerical9
algorithm9
algorithms9
hpc9
linear-algebra9
numerical-methods9
scientific-computing9
numeric9
Programming languages (18)
Github contributions (5)
nwchemgit/nwchem
Oct 1994 - Jan 2023
NWChem: Open Source High-Performance Computational Chemistry
Role in this project:
Back-end Developer
Back-end DeveloperContributions:11 releases, 63 reviews, 8097 commits in 28 years 7 months
Contributions summary:Edoardo made contributions to the NWChem open-source computational chemistry package, focusing on enhancing its functionality and fixing existing issues. Their commits demonstrate a focus on the core logic, including bug fixes in DFT and MP2 algorithms. Furthermore, the user added features, such as including an option to read MO files as an input.
chemistryelectronic-structure-calculationsfenicshartree-fockcomputational-science
spack/spack
Sep 2018 - Nov 2020
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Role in this project:Back-end Developer
Back-end DeveloperContributions:10 reviews, 4 commits, 13 PRs in 2 years 2 months
Contributions summary:Edoardo primarily contributed to the `nwchem` package within the `spack/spack` repository, focusing on updates and maintenance related to various versions of the software. Their work involved modifying the `package.py` file, adding new versions, fixing build issues, and adjusting dependencies, particularly in relation to compiler compatibility and external libraries. The contributions show an understanding of the package management system and the specific requirements of building and integrating `nwchem`. The user's commits also involved addressing compatibility with different versions of the software's dependencies, and updating the package definition for integration with other scientific computing tools.
compilerspythonradiussplatformslinux
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