A QSGW description of the electronic structure and excitons in ferromagnetic CrX₃ compounds

An efficient, high-fidelity scheme to obtain the properties of a localized defect embedded in an otherwise periodic host

Detailed electronic structure calculations for a proper description of the transport properties of magnetic Josephson junctions

QSGW provides a parameter free description of magnetism in the YIG, the model material for spintronics and magnonics research

How incoherence from Hundness controls superconductivity in LaFe2As2 and CaFe2As2

A paper describing Questaal's functionality, including its basis set, its various implementations of density-functional theory and its two tracks of many-body theory.

How spin and charge parity combine to increase the superconducting critical temperature in Sr2RuO4 under strain

Interfacial contribution to spin-orbit torque and magnetoresistance in ferromagnet/heavy-metal bilayers

TB-LMTO-CPA was used to model electrical transport in tetragonal CuMnAs at finite temperature.

Anisotropic Plasmonic CuS Nanocrystals as a Natural Electronic Material with Hyperbolic Optical Dispersion

State-of-the-art calculation of the electronic and optical properties of the newly emerging thermal transport semiconductor boron arsenide