QC-Devs
QC-Devs develops free, open-source, and cross-platform libraries for the computational sciences, focusing on theoretical and computational chemistry. Our goal is to make programming accessible to students and researchers, to catalyze scientific collaborations, and to promote precepts of sustainable software development. We're adapting some of the same principles to develop free and open-source educational materials (qc-edu.org) to modernize scientific education by integrating hands-on computation and computer programming.
GSoC Participation History
Technologies
Topics
Past Projects
Better Linking Between Libcint and Gbasis
GBasis currently requires manual libcint compilation, breaking on macOS and Windows. This project automates the build using scikit-build-core and...
Improve Robustness of Poisson Solver
The grid library evaluates the Coulomb potential of molecules by numerically solving Poisson's equation. However, true electron densities possess...
Electrostatics Beyond Atomic Charges: A High-Performance Multipole Engine for FFprime
I am applying to build the multipole electrostatics evaluation engine for FFprime, addressing Issue #1 (Electrostatics beyond the atomic charges)....
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QC-Devs | GSoC Org Profile & Stats - Learn about QC-Devs's involvement in Google Summer of Code (GSoC), their technologies, detailed reports.
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