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  1. Microcanonical-ensemble-molecular-dynamics-simulation Microcanonical-ensemble-molecular-dynamics-simulation Public

    Here, a Lennard Jones fluid is simulated in a microcanonical ensemle which has a constant number of molecules (N), volume (V) and energy (E).

    Scilab

  2. Excess-chemical-potential-estimation Excess-chemical-potential-estimation Public

    In this project, for a Lennard Jones fluid, the excess chemical potential is estimated using the finite difference thermodynamic integration method.

    MATLAB

  3. Monte-Carlo-Method-for-Integral-Estimation Monte-Carlo-Method-for-Integral-Estimation Public

    In this project, integration (area under the curve) for a given function is estimated using the Monte Carlo method. This method can also be applied further in 3D to calculate volume.

    Jupyter Notebook