Switch branches/tags
Nothing to show
Find file History
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
..
Failed to load latest commit information.
aimd_data
2013-01-01-Bandstructure of NiO.ipynb
2013-01-01-Basic functionality.ipynb
2013-01-01-Calculating Reaction Energies with the Materials API.ipynb
2013-01-01-Calculating XRD patterns.ipynb
2013-01-01-Explanation of Corrections.ipynb
2013-01-01-Getting crystal structures from online sources.ipynb
2013-01-01-Molecule.ipynb
2013-01-01-Ordering Disordered Structures.ipynb
2013-01-01-Plotting and Analyzing a Phase Diagram using the Materials API.ipynb
2013-01-01-Plotting the electronic structure of Fe.ipynb
2013-01-01-Units.ipynb
2016-09-08-Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors Part 1 - Structure Generation.ipynb
2016-09-08-Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors Part 2 - Phase and Electrochemical Stability.ipynb
2016-09-08-Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors Part 3 - Diffusivity and Ionic Conductivity.ipynb
2016-09-25-Plotting phonon bandstructure and dos.ipynb
2017-03-02-Getting data from Materials Project.ipynb
2017-04-03-Slab generation and Wulff shape.ipynb
2017-04-14-Inputs and Analysis of VASP runs.ipynb
2017-05-11-Running Jupyter Notebook on clusters.ipynb
2017-09-03-Analyze and plot band structures.ipynb
2017-12-15-Plotting a Pourbaix Diagram.ipynb
2018-01-01-ChemEnv - How to automatically identify coordination environments in a structure.ipynb
2018-03-09-Computing the Reaction Diagram between Two Compounds.ipynb
2018-03-14-Plotting COHP from LOBSTER.ipynb
2018-07-24-2018-Adsorption on solid surfaces.ipynb
2018-09-25-Structure Prediction using Pymatgen and the Materials API.ipynb
2018-11-14-Interface Reactions.ipynb
2018-11-6-Dopant suggestions using Pymatgen.ipynb
Figure_quartz.png
PDF - alpha CsCl.png
PDF - beta CsCl.png