A machine learning density functional theory emulation platform for atomistic calculations !

Tutorial Suite

grainTutorial: Static Calculation

Learn how to make static calculations with these in-depth examples.

blur_onTutorial: Structure Optimization

Learn how to optimize a structure using LAMMPS.

low_priorityTutorial: Reaction Kinetics

Learn how to calculate the kinetics of diffusive mechanisms via nudged elastic band calculations.

updateTutorial: Material Dynamics

Learn how to run dynamic material simulations with LAMMPS.