Master's thesis

Thank you for visiting my first project - my Master's thesis.
To perform the molecular dynamics (or actually: molecular statics) simulations from the provided Jupyter notebooks, LAMMPS needs to be installed on your computer. The potentials used for these calculations are from the NIST Interatomic Potentials Repository and the full list can be found in my Master's thesis which will be freely available on the internet. To perform the calculations, you would need to check the correct parameters for the material you are using - in this case, these are fcc and bcc materials only. Other than that, the notebooks should be self-explanatory - if they are not, feel free to read my thesis or contact me.