Top Repositories
My PhD thesis, defended at the University of Antwerp in March 2020.
Template for Python packages
Material for the AiiDA blog post on setting up high-throughput calculations
Material for Software development basics workshop
Repositories
83Template for Python packages
No description provided.
A Virtual Machine for computational materials science
Material for Software development basics workshop
Collection of resources for my talks
No description provided.
No description provided.
A conda-smithy repository for conda-forge-repodata-patches.
No description provided.
The conda-forge website.
A conda-smithy repository for parsevasp.
Personal GitHub repository
No description provided.
XML Schema validator and data conversion library for Python
No description provided.
Python package for calculating photoluminescence spectra from constrained DFT
CSCS public documentation
Support for AiiDA types in Typer CLIs
Template for AiiDA plugin packages
Copier template for MC3D-related repositories
AiiDA plugin for the HyperQueue metascheduler.
A plugin to AiiDA for running simulations with VASP
AiiDA plugin package for interfacing with the Electron Phonon Wannier (EPW) code.
My PhD thesis, defended at the University of Antwerp in March 2020.
Material for the AiiDA blog post on setting up high-throughput calculations
AiiDA plugin which contains data and methods for atomistic simulations.
A demonstration tutorial of using aiida-quantumespresso
Design flexible node-based workflows using AiiDA
Repository of failed Quantum ESPRESSO runs
No description provided.