Tutorial

Available tutorials.

• best to get started with ML and MLatom: tutorial for CECAM school MLQCDyn
• very short introduction to get started with MLatom: introduction to MLatom@XACS cloud computing
• step-by-step tutorial for MLatom@XACS cloud computing
• using AIQM1
• accurate and fast calculation of enthalpies of formation with uncertainty estimates
• benchmarking machine learning potentials
• simulating absorption spectra with ML-nuclear ensemble approach
• tutorial on using KREG and pKREG machine learning potentials (fast and accurate)
• examples to get started in using ML for quantum chemistry from Chapter 11 Quantum Chemistry Assisted by Machine Learning in  Advances in Quantum Chemistry: Chemical Physics and Quantum Chemistry, Volume 81
• using MLatom GUI
• Tutorial on Machine Learning-based Quantum Dissipative Dynamics