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I

Iurii Timrov

Paul Scherrer Institute

22H指数
91论文数
1.7K被引数
收录论文 37
发表时间
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Bridging classical and quantum interpretation of chemical state analysis by XPS/HAXPES to resolve short-range order in amorphous alumina films通过XPS/HAXPES桥接化学态分析的经典与量子诠释，以解析非晶氧化铝薄膜中的短程有序性
errj. mater. chem. a
IF0
err2026-03-11
err0
errOAAI
errSimon Gramatte; Xing Wang; Michael Alejandro Hernández Bertrán; Claudia Cancellieri; Giovanni Pizzi; Deborah Prezzi; Iurii Timrov; Olivier Politano; Ivo Utke; Lars P. H. Jeurgens; Vladyslav Turlo
err分享
err收藏
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app使用AiiDAlab Quantum浓缩咖啡应用程序进行原子材料计算
errnpj Computational Materials
IF11.9
err2026-02-03
err0
errOAAI
errXing Wang; Edan Bainglass; Miki Bonacci; Andres Ortega-Guerrero; Lorenzo Bastonero; Marnik Bercx; Pietro Bonfà; Roberto De Renzi; Dou Du; Peter N. O. Gillespie; Michael A. Hernández-Bertrán; Daniel Hollas; Sebastiaan P. Huber; Elisa Molinari; Ifeanyi J. Onuorah; Nataliya Paulish; Deborah Prezzi; Junfeng Qiao; Timo Reents; Christopher J. Sewell; Iurii Timrov; Aliaksandr V. Yakutovich; Jusong Yu; Nicola Marzari; Carlo A. Pignedoli; Giovanni Pizzi
err分享
err收藏
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT plus U for Mixed d-f Electron Compounds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2026-01-01
err0
PREAI
errWarda, Kinga; Macke, Eric; Timrov, Iurii; Ciacchi, Lucio Colombi; Kowalski, Piotr M.
err分享
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Explicit demonstration of the equivalence between DFT + U and the Hartree-Fock limit of DFT+DMFT
errPHYSICAL REVIEW RESEARCH
IF4.2
err2025-03-19
err1
errOAAI
errCarta, Alberto; Timrov, Iurii; Mlkvik, Peter; Hampel, Alexander; Ederer, Claude
err分享
err收藏
First-principles electron-phonon interactions and polarons in the parent cuprate La2CuO4
errPHYSICAL REVIEW RESEARCH
IF4.2
err2025-03-18
err1
errOAAI
errChang, Benjamin K.; Timrov, Iurii; Park, Jinsoo; Zhou, Jin-Jian; Marzari, Nicola; Bernardi, Marco
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Orbital-Resolved DFT plus U for Molecules and Solids分子和固体的轨道分辨DFT加U
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-31
err2
errOAAI
errMacke, Eric; Timrov, Iurii; Marzari, Nicola; Ciacchi, Lucio Colombi
err分享
err收藏
On-site and intersite Hubbard corrections in magnetic monolayers: The case of FePS3 and CrI3磁性单层中的现场和现场间Hubbard校正: FePS3和CrI3的情况
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-01-24
err6
errOAAI
errHaddadi, Fatemeh; Linscott, Edward; Timrov, Iurii; Marzari, Nicola; Gibertini, Marco
err分享
err收藏
Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3了解Hubbard校正在BaTiO3的菱面体相中的作用
errPHYSICAL REVIEW B
IF3.7
err2023-12-27
err4
PREAI
errGebreyesus, G.; Bastonero, Lorenzo; Kotiuga, Michele; Marzari, Nicola; Timrov, Iurii
err分享
err收藏
Hybridization driving distortions and multiferroicity in rare-earth nickelates稀土镍酸盐中的杂化驱动畸变和多铁性
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-09-01
err12
errOAAI
errBinci, Luca; Kotiuga, Michele; Timrov, Iurii; Marzari, Nicola
err分享
err收藏
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets
errPHYSICAL REVIEW B
IF3.7
err2023-06-30
err15
errOAAI
errDelugas, Pietro; Baseggio, Oscar; Timrov, Iurii; Baroni, Stefano; Gorni, Tommaso
err分享
err收藏
First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet
errPHYSICAL REVIEW B
IF3.7
err2023-06-30
err4
errOAAI
errGorni, Tommaso; Baseggio, Oscar; Delugas, Pietro; Timrov, Iurii; Baroni, Stefano
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Unraveling the effects of inter-site Hubbard interactions in spinel Li-ion cathode materials揭开尖晶石型锂离子阴极材料中Hubbard相互作用的影响
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2023-01-01
err4
errOAAI
errTimrov, Iurii; Kotiuga, Michele; Marzari, Nicola
err分享
err收藏
turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theoryturboMagnon-使用liouville-lanczos方法对时间相关的密度泛函微扰理论进行自旋波谱模拟的代码
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-11-01
err8
errOAAI
errGorni, Tommaso; Baseggio, Oscar; Delugas, Pietro; Baroni, Stefano; Timrov, Iurii
err分享
err收藏
HP - A code for the calculation of Hubbard parameters using density-functional perturbation theoryHP-使用密度泛函微扰理论计算Hubbard参数的代码
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-10-01
err59
errOAAI
errTimrov, Iurii; Marzari, Nicola; Cococcioni, Matteo
err分享
err收藏
Pivotal Role of Intersite Hubbard Interactions in Fe-Doped α-MnO2
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-08-15
err15
errOAAI
errMahajan, Ruchika; Kashyap, Arti; Timrov, Iurii
err分享
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Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds (vol 102, 235159, 2020)具有扩展的Hubbard泛函的密度泛函理论中的Pulay力: 从非正交化到正交化流形 (102卷，235159，2020)
errPHYSICAL REVIEW B
IF3.7
err2022-05-31
err12
errOAAI
errTimrov, Iurii; Aquilante, Francesco; Binci, Luca; Cococcioni, Matteo; Marzari, Nicola
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Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen (vol 14, pg 2335, 2021)在太阳能制氢的数据驱动材料发现中优化准确性和功效 (第14卷，2335页，2021)
errENERGY & ENVIRONMENTAL SCIENCE
IF30.8
err2022-01-01
err1
errOAAI
errXiong, Yihuang; Campbell, Quinn T.; Fanghanel, Julian; Badding, Catherine K.; Wang, Huaiyu; Kirchner-Hall, Nicole E.; Theibault, Monica J.; Timrov, Iurii; Mondschein, Jared S.; Seth, Kriti; Katz, Rebecca; Villarino, Andres Molina; Pamuk, Betul; Penrod, Megan E.; Khan, Mohammed M.; Rivera, Tiffany; Smith, Nathan C.; Quintana, Xavier; Orbe, Paul; Fennie, Craig J.; Asem-Hiablie, Senorpe; Young, James L.; Deutsch, Todd G.; Cococcioni, Matteo; Gopalan, Venkatraman; Abruna, Hector D.; Schaak, Raymond E.; Dabo, Ismaila
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err收藏
Importance of intersite Hubbard interactions in β-MnO2: A first-principles DFT plus U plus V study
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-10-04
err19
errOAAI
errMahajan, Ruchika; Timrov, Iurii; Marzari, Nicola; Kashyap, Arti
err分享
err收藏
Coherent energy exchange between carriers and phonons in Peierls-distorted bismuth unveiled by broadband XUV pulses
errPHYSICAL REVIEW RESEARCH
IF4.2
err2021-09-02
err12
errOAAI
errGeneaux, Romain; Timrov, Iurii; Kaplan, Christopher J.; Ross, Andrew D.; Kraus, Peter M.; Leone, Stephen R.
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Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations
errPHYSICAL REVIEW B
IF3.7
err2021-01-29
err128
errOAAI
errTimrov, Iurii; Marzari, Nicola; Cococcioni, Matteo
err分享
err收藏

研究方向

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