.. _tutorial_tsh_al:

Active learning for TSH
==========================================

Efficient and robust active learning for surface-hopping dynamics: often, you can do surface-hopping dynamics from start to finish within a couple of days on a single GPU! See for details:

- Mikołaj Martyka, Lina Zhang, Fuchun Ge, Yi-Fan Hou, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral. Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning. **2024**. Preprint on ChemRxiv: https://doi.org/10.26434/chemrxiv-2024-dtc1w.

:download:`Zip with tutorial materials <tutorial_files/tutorial_namd/alnamd_tutorial.zip>` including Jupyter notebook:

.. raw:: html
   :file: tutorial_files/tutorial_namd/alnamd.html