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QC-Devs
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Sustainable software for quantum chemistry & more
Category
Science and medicine
Years
2025
2024
Technologies
python
github
c++
julia
jupyter
Topics
data science
scientific visualization
quantum chemistry
Computational Science
numerical algorithms
Past Projects
2025
2024
Refactor AtomDB Structure
Enjy Ashraf
Efficient data storage and retrieval are essential for the performance and scalability of scientific databases. AtomDB, a valuable resource for...
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Code Submission
ModelHamiltonian: Manipulating Model Hamiltonians and Building Interfaces to External Packages
Giovanni BENEDETTI DA ROSA
ModelHamiltonians is already a well-structured library to express and simulate Hamiltonians in the context of quantum chemistry. The package,...
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Code Submission
Improving Gbasis Performance Using Screening
Omid Hosseinzadeh
The efficient computation of molecular integrals is crucial for large-scale quantum chemistry calculations to obtain the properties of the system....
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Code Submission
Enhancing NICE.jl with a Hybrid Solver and Manual Jacobian for Reaction Network Analysis
Sparsh Karna
The NICE.jl package, a Julia-based tool for reaction network analysis, currently lacks efficient handling of complex systems with oscillations or...
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Code Submission
Transformed Cubic Grids
tutou2356
My GSoC 2025 proposal focuses on enhancing the "Transformed Cubic Grids" framework (Issue #264) within the QC-Devs organization by implementing...
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Code Submission
