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AdvQuantumChem
AdvQuantumChem PublicCompanion code for Advanced Quantum Chemistry (2302638) - Electron Integrals and Hartree-Fock with Rys Quadrature
Python
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IQCP
IQCP PublicInteractive Quantum Chemistry Playground (IQCP) is an educational web application designed for teaching quantum chemistry concepts. All heavy computation runs in-browser using WebAssembly, ensuring…
Rust
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GRO-DFTB
GRO-DFTB PublicAn open-source QM/MM interface coupling DFTB+ with GROMACS for energy-conserving ground-state molecular dynamics
C
Repositories
- GRO-DFTB Public
An open-source QM/MM interface coupling DFTB+ with GROMACS for energy-conserving ground-state molecular dynamics
ExaPsi/GRO-DFTB’s past year of commit activity - IQCP Public
Interactive Quantum Chemistry Playground (IQCP) is an educational web application designed for teaching quantum chemistry concepts. All heavy computation runs in-browser using WebAssembly, ensuring responsive interactions and reproducible results. Validated against PySCF with sub-microhartree accuracy.
ExaPsi/IQCP’s past year of commit activity - AdvQuantumChem Public
Companion code for Advanced Quantum Chemistry (2302638) - Electron Integrals and Hartree-Fock with Rys Quadrature
ExaPsi/AdvQuantumChem’s past year of commit activity
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