Workshop: “The determination of Hubbard parameters: progress, pitfalls, and prospects”

This focused workshop gathers the DFT+U community to examine how Hubbard parameters are defined and computed—and why their values often diverge across studies. Through invited talks, tutorials, and discussions, participants will compare leading approaches to U (and related V and J), including linear-response theory, constrained RPA, Hartree–Fock–based methods, and emerging machine-learning strategies. The program will map common ground and key differences, clarify the physical and theoretical underpinnings of these parameters, and draft best practices aimed at improving consistency and reproducibility. Outcomes include a shared conceptual framework, steps toward standardized protocols, and new collaborations that accelerate reliable materials design and characterization using DFT+U.

Dr. Benedikt Schönauer from HQS will be on site and present a poster entitled “Effective spin-bath model Hamiltonians for real solids and molecules”.

More information about the Hubbard workshop