OMNI-P2x

OMNI-P2x is the first universal excited-state potential, see our preprint:

Details are in the paper:

  • Mikołaj Martyka, Xin-Yu Tong, Joanna Jankowska, Pavlo O. Dral. OMNI-P2x: A Universal Neural Network Potential for Excited-State Simulations. 2025.

Preprint on ChemRxiv: https://doi.org/10.26434/chemrxiv-2025-j207x (2025.04.16).

Tutorials will be added, they can be currently found at https://github.com/dralgroup/omni-p2x.