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1. Python_examples Python_examples Public

   Simple Python programs illustrating basic features of scientific calculations using python (scripts and notebooks)

   Jupyter Notebook

2. Monte_Carlo_Metropolis_Examples Monte_Carlo_Metropolis_Examples Public

   Simple python programs to study the Ising model of magnetism in physics

   Jupyter Notebook 4 1

3. SIESTA_examples SIESTA_examples Public

   Simple examples of DFT calculations woth SIESTA (electronic structure of a molecule and MD simulation of a chemical reaction)

   Jupyter Notebook

4. Running_NAMD Running_NAMD Public

   Scripts useful for running NAMD simulations

   Rich Text Format 2 1

5. Protein_Simulation_Hands_on Protein_Simulation_Hands_on Public

   Hands on introduction to protein simulation using NAMD

6. Water_in_CNTs_Exercises Water_in_CNTs_Exercises Public

   Exercises about MD simulations of water in CNTs using NAMD and VMD

   Python