All organizations · GSoC 2026 · Science and medicine, Data

QC-Devs

Sustainable software for quantum chemistry & more

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.

  • python
  • github
  • c++
  • julia
  • jupyter
  • data science
  • scientific visualization
  • quantum chemistry
  • Computational Science
  • numerical algorithms

Project ideas

8 ideas on its 2026 ideas page. Sizes: 3 small, 3 medium, 2 large.

  1. FFprime: Electrostatics beyond the atomic charges small
  2. FFprime: Implementation of the universal pairwise potential for VdW interactions using AIM theory medium
  3. GBasis: Better linking between Libcint and GBasis large
  4. GBasis: Improve performance of 2-electron integrals using screening medium
  5. Grid: Integration on the sphere using maximum determinant points small
  6. Grid: Improve robustness of Poisson solver large
  7. ModelHamiltonian: An alternative approach to spin Hamiltonians small
  8. Selector: Improve efficiency of OptiSim selection method medium

Read the ideas page. Ideas are for scope reference; never copy one into a proposal.

History

In GSoC since 2024, 3 years. Projects per year: '24: 2, '25: 4, '26: 3.

On GitHub

17 repositories pushed to in the last year. Main languages: Python (8), Jupyter Notebook (4), C++ (2), Cuda (1), Julia (1).

Links and channels

go deeper in your terminal
git-into-gsoc org "QC-Devs" --shortlist
git-into-gsoc repos "QC-Devs"
git-into-gsoc issues --org "QC-Devs"
or ask your assistant:
"Which QC-Devs repositories merge
newcomers' pull requests, and which beginner
issues are still free?"

Those commands read live data: which repositories merge outside pull requests, and which beginner issues nobody has claimed. Install in two minutes.