Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
Mathematica notebooks for processing, plotting and visualizition of outputs (and sometimes also inputs) of DFT codes (VASP, FHI-AIMS, Fireball, GPAW and maybe others) and results of SPM (simulations)
Jupyter notebooks demonstrating the use of open-source libraries for DFT calculations.
Demonstration of a simple data visualization dashboard for electronic structure data in a Jupyter notebook.
Guía de instalación y ejemplos de uso de Quantum Espresso. Felipe Cervantes Sodi. Septiembre 2018- agosto 2019
Python notebook containing implementations for the Discrete Fourier Transform which use different versions of the Fast Fourier Transform for their computations. The optimal implementation is then used to solve a variety of problems. This is an extension of the work done in Algorithms II (202).
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