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
