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Fullerene-Thesis

My master's thesis at The Niels Bohr Institute concerning a new rudimentary approach to DFT calculations in fullerene molecules, for fast rough property calculation. In the apendix of the Thesis a guide to the directory of the code is shown.

The folder /gifs is a collection of some of the solutions to the heat equation on the 2D surface arising from the C20 Fullerene. In depth description of these are found in the thesis.