The DynaGen model allows the prediction of dynamical field data based on microstructure input. The model is exemplified to dynamic fracture problems in brittle materials.

Codes for automating standard VASP and VASP-related calculations.

build, analyse and visualise atomistic structures for materials science

Polymerize Atomistic P3HT

OTEAPI plugins for atom-scale modelling

Nanotribology Simulation Framework. Create modern workflows to automate the study of friction wear with Lammps and OVITO 🚀

KMC - Material deposition (interconnects) - Python