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Iurii Timrov

Showing results (1-10 of 14) with videos related to

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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 Marzari
Npj Computational Materials|April 21, 2025
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionalsLuca Binci, Nicola Marzari, Iurii Timrov
Journal of Chemical Theory and Computation|May 31, 2024
Orbital-Resolved DFT<i>+U</i> 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.
The 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+<i>U</i> 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|October 1, 2021
Ab Initio Electron-Phonon Interactions in Correlated Electron SystemsJin-Jian Zhou, Jinsoo Park, Iurii Timrov, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
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 Marzari
Npj Computational Materials|April 21, 2025
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionalsLuca Binci, Nicola Marzari, Iurii Timrov
Journal of Chemical Theory and Computation|May 31, 2024
Orbital-Resolved DFT<i>+U</i> 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.
The 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+<i>U</i> 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|October 1, 2021
Ab Initio Electron-Phonon Interactions in Correlated Electron SystemsJin-Jian Zhou, Jinsoo Park, Iurii Timrov, et al.
Pageof 2