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@ExaPsi

ExaPsi

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  1. 2302337 2302337 Public

    Surface Phenomena & Catalysis (Course 2302337) - Student Materials

    Jupyter Notebook 2

  2. QuasiX QuasiX Public

    High-performance GW/BSE implementation in Rust with Python bindings

    Rust

  3. AdvQuantumChem AdvQuantumChem Public

    Companion code for Advanced Quantum Chemistry (2302638) - Electron Integrals and Hartree-Fock with Rys Quadrature

    Python

  4. IQCP 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…

    Rust

  5. GRO-DFTB GRO-DFTB Public

    An open-source QM/MM interface coupling DFTB+ with GROMACS for energy-conserving ground-state molecular dynamics

    C

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