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Fundamentals of quantum mechanics as applied to atoms, molecules, and solids. Electronic, optical, and magnetic properties of solids.
Related publications (234)
Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.
We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard U and V parameters from first-principles. By leveraging density-functional perturbation theory, the computation of the Hubbard parameters is efficiently pa ...
The thermal conductivities of crystals and glasses vary strongly and with opposite trends upon heating, decreasing in crystals and increasing in glasses. Here, we show that the dominant conduction mechanisms of crystals (particle-like propagation) and glas ...
Proceedings of the National Academy of Sciences2025
