I lead Computational Materials Engineering at SCHOTT
atomistic-software. Tracking citations of atomistic simulation engines
28asetk. Toolkit using the Atomistic Simulation Environment (ASE)
20epw-school-2021. 2021 Virtual School on Electron-Phonon Physics and the EPW code
9aiida-graph-render. How to render a complex AiiDA graph using GePhi
7flask-sqlalchemy-circular-imports. Minimum working example for avoiding circular imports with flask_sqlalchemy
6open-7m-workout. Open-source implementation of 7-minute workout
5holoviews-dynamic-hover. Combines datashader with dynamic bokeh overlay depending on zoom level
4livecoms-atomistic-software. Git repository accompanying the LiveCoMS perpetual review on atomistic.software
3jsmol-bokeh-extension. JSmol extension for bokeh
3aiida-psi4. AiiDA plugin for the Psi4 Quantum Chemistry package
2dftpicker. Pick the most accurate DFT code for your chemical system
2aiida-on-azure. Guide for setting up an AiiDA computational environment on Azure
2moodle-qformat_qtex. QuestionTeX Moodle plugin for multiple choice tests
2upf-schema. An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite
1aiida-gudhi. AiiDA plugin for the GUDHI library for topological data analysis.
1QuestionTeX. QuestionTeX is a LaTeX package for writing multiple choice tests
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