Overview

Here you will find an overview of the types of tutorials offered and a quick summary:

  1. Improving MD simulation throughput by GPU batch evaluation in MACEModels.jl
  2. Simulating laser-driven desorption with MDEF and the TTM
  3. Scattering of a mono-energetic particle from a surface
  4. Calculating potential energy surfaces, forces and non-adiabatic couplings with the Newns-Anderson Hamiltonian