Han

my personal website

GRACE models and gracemaker (as implemented in TensorPotential package)

No description provided.

Grand canonical optimization of grain boundary phases.

ASSYST nodes for pyiron_workflow

Contains data associated with the manuscript

standalone repo for vasp_nodes in pyiron_workflow https://github.com/pyiron/pyiron_workflow

No description provided.

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

Includes the data for reproducing analysis in the manuscript

workflow nodes for lammps in the pyiron_workflow framework

No description provided.

5 min notebooks for introducing users to pyiron_workflow

GitHub templates

NequIP is a code for building E(3)-equivariant interatomic potentials

A simple, robust and flexible just-in-time job management framework in Python.

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.

pyiron - an integrated development environment (IDE) for computational materials science.