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  1. QM7-RC_DEGF QM7-RC_DEGF Public

    Code to support the Master Thesis: Elizaveta Lozhkina, "Disentangling electronic and geometric features for physics-based machine learning"

    Python

  2. Numerical_Methods_Master_Projects Numerical_Methods_Master_Projects Public

    Numerical projects using Fortran and Python: interpolation/extrapolation of molecular potentials (O₂, C₂H₅), integration and differentiation (average value, VO₂(R)), and model fitting of a spectros…

    Fortran

  3. Numerical_Physics_Master_Projects Numerical_Physics_Master_Projects Public

    Numerical projects using C and Python: Monte Carlo Simulation of Phase Transition Systems, Random Number Generators, Molecular Dynamics Simulation

    C