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Physical Review Letters|August 10, 2026
Bridging Constrained Random-Phase Approximation and Linear Response Theory for Computing Hubbard ParametersAlberto Carta, Iurii Timrov, Sophie Beck, et al.Physical Review Letters|April 3, 2026
Net and Compensated Altermagnetism from Staggered Orbital Order: Layer-Dependent Spin Splitting in Sr_{n+1}Cr_{n}O_{3n+1}Quintin N Meier, Alberto Carta, Claude Ederer, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 11, 2022
Charge self-consistent electronic structure calculations with dynamical mean-field theory usingQuantum ESPRESSO, Wannier 90andTRIQSSophie Beck, Alexander Hampel, Olivier Parcollet, et al.Physical Chemistry Chemical Physics : PCCP|March 15, 2023
Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materialsIurii Timrov, Michele Kotiuga, Nicola MarzariNpj Computational Materials|April 21, 2025
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionalsLuca Binci, Nicola Marzari, Iurii TimrovJournal of Chemical Theory and Computation|May 31, 2024
Orbital-Resolved DFT+U for Molecules and SolidsEric Macke, Iurii Timrov, Nicola Marzari, et al.Journal of Chemical Theory and Computation|July 22, 2016
Multimodel Approach to the Optical Properties of Molecular Dyes in SolutionIurii Timrov, Marco Micciarelli, Marta Rosa, et al.The Journal of Chemical Physics|January 24, 2015
Self-consistent continuum solvation for optical absorption of complex molecular systems in solutionIurii Timrov, Oliviero Andreussi, Alessandro Biancardi, et al.Npj Computational Materials|January 28, 2025
Machine learning Hubbard parameters with equivariant neural networksMartin Uhrin, Austin Zadoks, Luca Binci, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 11, 2011
First principles studies of multiferroic materialsSilvia Picozzi, Claude EdererPageof 4