Stefan Bringuier's Projects
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
Julia Bindings for Atomic Simulation Environment
Standard input/output package for AtomsBase-compatible structures
Curated list of known efforts in materials informatics
A curated list of self-driving laboratories that combine hardware automation and artificial intelligence to accelerate scientific discovery.
Things that you should (and should not) do in your Materials Informatics research.
Check .bib file using biber
Finetune BLOOM
Generate a DataFrame or file of coauthors for proposals
Notes for anyone who is interested in quickly familiarizing themselves with superconductors from a materials science perspective
An inline AI messenger for Pluto.jl notebooks
A series of recipes and tutorials on how to use python scripting with OVITO
Contains methods and types for a variety interatomic potentials.
BibTeX file for popular Julia Packages
Collection of Jupyter notebooks with no specific focus
Kinetic Monte Carlo Notes
Graph deep learning library for materials
Code to calculate bond-angle distribution from molecular dynamics simulations
Generate, naively, an atomic polycrystalline sample.
Julia implemented algorithms as described in the book Numerical Methods, L. V. Fausett , 2003 ISBN 0-13-031400-5
Periodic Table for Julians! :fire:
Blogging using Pluto.jl notebooks.
Leverage featured notebook approach for my notebook templates
A simple utility to convert Pluto.jl notebooks to Julia project/package folder.
Generate Multiphase Polycrystalline LAMMPS data files using Atomsk and ASE
Solving quantum computing problems in Julia using Sympy.jl within Pluto.jl notebooks
An attempt to fit ab-initio materials database (e.g. Materials Project) results to FitSNAP potential.
My eclectic mix of code and notebooks for experimentation and exploration