09 - Olexandr Isayev - Artificial Intelligence (AI) Solutions for Computational & Organic Chemistry
Channel: Open Force Field Initiative
Date: 2019-09-11

Olexandr Isayev talks about using neural networks to create fast and accurate molecular potentials trained on high-level QM data. The resulting ANI model (ANAKIN-ME: Accurate NeurAl networK engINefor Molecular Energies) seems to be very promising.

Presentation slides and video DOI: 10.5281/zenodo.3405594