top of page
Training: VASP NMR, Transition State Search, and MLFF Applications in MedeA

In this training, we will go over a robust procedure for training machine-learned forcefields (MLFFs) and how to apply these MLFFs on large-scale systems simulated in the LAMMPS molecular dynamics engine to compute various material properties. Additionally, we will cover new features related to NMR calculations and Transition State Search calculations using MedeA VASP.
bottom of page

