Iurii Timrov

6PUBLICATIONS
23CO-AUTHORS
Nonlinear optics and spectroscopyComputational chemistryIntegrable systems (classical and quantum)Theoretical quantum chemistryElectronic and magnetic properties of condensed matter; superconductivity
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Publications (6)

|Mar 13, 2026
Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina films.

Simon Gramatte, Xing Wang, Michael Alejandro Hernández Bertrán

|Jan 07, 2026
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+<i>U</i> for Mixed d-f Electron Compounds.

Kinga Warda, Eric Macke, Iurii Timrov

|Jan 28, 2025
Machine learning Hubbard parameters with equivariant neural networks.

Martin Uhrin, Austin Zadoks, Luca Binci

|May 31, 2024
Orbital-Resolved DFT<i>+U</i> for Molecules and Solids.

Eric Macke, Iurii Timrov, Nicola Marzari

|Mar 15, 2023
Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materials.

Iurii Timrov, Michele Kotiuga, Nicola Marzari

|Oct 25, 2017
Advanced capabilities for materials modelling with Quantum ESPRESSO.

P Giannozzi, O Andreussi, T Brumme

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Frequent Collaborators

3 joint publications

Nicola Marzari

2 joint publications

Eric Macke

2 joint publications

Lucio Colombi Ciacchi

1 joint publications

P Giannozzi