Presentation Information

[Po102]AI-Guided Discovery and DFPT Phonon Validation of a Dynamically Stable Monoclinic LiBH3 Polymorph

*Michal Kaufman1 (1. University of West Bohemia in Pilsen (Czech Republic))

Keywords:

Generative AI,Complex hydrides,Phonon stability,Machine learning potentials,LiBH3 polymorph