Webinars

Explore the critical role of dispersion-corrected hybrid density functional theory in determining material properties, from pharmaceutical efficacy to semiconductor performance. This webinar and hands-on demonstration features Dr. Volker Blum's talk on efficient all-electron hybrid density functionals and the properties of organic-inorganic hybrid semiconductors, as well as Dr. Marcus Neumann's introduction to the THRu(ST) method for crystal structure prediction in pharmaceuticals.

Learn how to model thermal and electrical conductivities in solids with FHI-aims in this webinar and hands-on demonstration. Christian Carbogno will introduce a non-perturbative approach that incorporates anharmonic effects via molecular dynamics, enabling accurate conductivity calculations at high temperatures and for strongly anharmonic materials. Matthias Scheffler will discuss the concepts, recent advances, and a roadmap for near-future developments of FHI-aims. Find out how these first-principles methods are accelerating materials discovery for aerospace, automotive, and electronic industries. 

Computational modeling of solid electrolytes for next-generation battery materials has emerged as an essential tool for materials discovery and optimization. In this webinar, Alex Tkatchenko will showcase how materials like the argyrodite family Li₆PS₅X, among the most promising solid electrolytes, require careful treatment of non-local electronic effects to provide accurate predictions. This is particularly important for predicting phenomena like site disorder and ion migration barriers, which directly impact macroscopic conductivity. Mariana Rossi will talk about techniques to calculate vibrational spectroscopy cross-sections for periodic systems (solids and liquids) in FHI-aims.