matbinder

ase-examples

A series of ASE examples, introducing the basic functionality and how to use the interfaces for cp2k, gpaw, lammps, openkim, quantum-espresso and siesta. All dependencies are available on conda-forge.

.github

Awesome mybinder examples for material science, mainly focused on atomistic simulation from density functional theory to interatomic potentials.

DAMASK-example

Jupyter notebook based workflows for DAMASK simulations

nomad-lab-vasp-parser

Benchmark Nomad Lab Parser

fenics-example

gpaw-example

lammps-example

LAMMPS-free-energy-example

Examples demonstrating how to reproduce the results in the paper.

lammps-matgl

Demonstrate how to use LAMMPS with MatGL

lammps-tutorials

LAMMPS tutorials for Beginners

quantum-espresso-example

secure-multi-user-conda

Docker Container with read-only conda environment.

aarch64-jupyter-docker-stacks

nwchem-example

practical-phase-field-with-examples

A short tutorial on phase field models.

pyprocar-example

runner-example

ryven-binder

Run a Linux Desktop on a JupyterHub

aalto-boss-example

abinit-example

cp2k-example

fitsnap-demo

fitsnap-example

maml-example

Machine Learning Force Field for Materials

povray-example

precice-example

precice - partitioned heat conduction example

pynnp-example

python-xtb-example

sphinx-example

wannierberri-example