Fritz Haber Institute events Speaker: Dr. Alastair Price Accurate and Transferable DFT: Machine-Learned aPBE0 and Physics-Based XDM in FHI-Aims NOMAD Laboratory Date: Apr 15, 2025 Time: 10:15 AM (Local Time Germany) Speaker: Dr. Alastair Price Department of Chemistry, Acceleration Consortium, University of Toronto, Canada Location: Building T Room: 0.18/0.19 Host: NOMAD Laboratory I present the implementation and application of the accurate, machine-learned aPBE0 functional and the exchange-hole dipole moment (XDM) dispersion correction within the FHI-aims code. [more]
