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Physical Review Letters|May 9, 2020
Prediction of a Giant Magnetoelectric Cross-Caloric Effect around a Tetracritical Point in Multiferroic SrMnO_{3}Alexander Edström, Claude EdererThe Journal of Physical Chemistry. A|April 2, 2015
Accurate and inexpensive prediction of the color optical properties of anthocyanins in solutionXiaochuan Ge, Iurii Timrov, Simon Binnie, et al.Journal of Chemical Theory and Computation|January 7, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+U for Mixed d-f Electron CompoundsKinga Warda, Eric Macke, Iurii Timrov, et al.Npj Computational Materials|June 19, 2025
First-principles Hubbard parameters with automated and reproducible workflowsLorenzo Bastonero, Cristiano Malica, Eric Macke, et al.Physical Review Letters|December 31, 2005
Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectricsClaude Ederer, Nicola A SpaldinPhysical Review Letters|October 1, 2021
Ab Initio Electron-Phonon Interactions in Correlated Electron SystemsJin-Jian Zhou, Jinsoo Park, Iurii Timrov, et al.Npj Quantum Materials|April 4, 2025
Energetics of the coupled electronic-structural transition in the rare-earth nickelatesAlexander Hampel, Peitao Liu, Cesare Franchini, et al.Journal of Materials Chemistry. A|March 13, 2026
Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina filmsSimon Gramatte, Xing Wang, Michael Alejandro Hernández Bertrán, et al.Physical Review Letters|February 9, 2024
Magnetostriction-Driven Muon Localization in an Antiferromagnetic OxidePietro Bonfà, Ifeanyi John Onuorah, Franz Lang, et al.The Journal of Chemical Physics|April 24, 2020
Quantum ESPRESSO toward the exascalePaolo Giannozzi, Oscar Baseggio, Pietro Bonfà, et al.Pageof 4