متابعة
Iurii Timrov
Iurii Timrov
Paul Scherrer Institut (PSI)
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عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
Advanced capabilities for materials modelling with Quantum ESPRESSO‏
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...‏
Journal of physics: Condensed matter 29 (46), 465901, 2017‏
82132017
Quantum ESPRESSO toward the exascale‏
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...‏
J. Chem. Phys. 152, 154105, 2020‏
15132020
Hubbard parameters from density-functional perturbation theory‏
I Timrov, N Marzari, M Cococcioni‏
Physical Review B 98 (8), 085127, 2018‏
3032018
Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations‏
I Timrov, N Marzari, M Cococcioni‏
Physical Review B 103 (4), 045141, 2021‏
1702021
Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps‏
NE Kirchner-Hall, W Zhao, Y Xiong, I Timrov, I Dabo‏
Applied Sciences 11 (5), 2395, 2021‏
1382021
Coherent phonon coupling to individual Bloch states in photoexcited bismuth‏
E Papalazarou, J Faure, J Mauchain, M Marsi, A Taleb-Ibrahimi, ...‏
Physical review letters 108 (25), 256808, 2012‏
1132012
HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory‏
I Timrov, N Marzari, M Cococcioni‏
Computer Physics Communications 279, 108455, 2022‏
1082022
Self-consistent DFT+ + study of oxygen vacancies in SrTiO ‏
C Ricca, I Timrov, M Cococcioni, N Marzari, U Aschauer‏
Phys. Rev. Research 2 (2), 023313, 2020‏
902020
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials‏
A Floris, I Timrov, B Himmetoglu, N Marzari, S de Gironcoli, M Cococcioni‏
Phys. Rev. B 101 (6), 064305, 2020‏
732020
Direct observation of electron thermalization and electron-phonon coupling in photoexcited bismuth‏
J Faure, J Mauchain, E Papalazarou, M Marsi, D Boschetto, I Timrov, ...‏
Physical Review B—Condensed Matter and Materials Physics 88 (7), 075120, 2013‏
732013
turboEELS—A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville–Lanczos approach to time-dependent density …‏
I Timrov, N Vast, R Gebauer, S Baroni‏
Computer Physics Communications 196, 460-469, 2015‏
712015
Accurate and inexpensive prediction of the color optical properties of anthocyanins in solution‏
X Ge, I Timrov, S Binnie, A Biancardi, A Calzolari, S Baroni‏
The Journal of Physical Chemistry A 119 (16), 3816-3822, 2015‏
562015
Self-consistent site-dependent DFT+ study of stoichiometric and defective SrMnO ‏
C Ricca, I Timrov, M Cococcioni, N Marzari, U Aschauer‏
Physical Review B 99 (9), 094102, 2019‏
512019
Ab Initio Electron-Phonon Interactions in Correlated Electron Systems‏
JJ Zhou, J Park, I Timrov, A Floris, M Cococcioni, N Marzari, M Bernardi‏
Physical review letters 127 (12), 126404, 2021‏
502021
Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory‏
IT Nathalie Vast, Ralph Gebauer, Stefano Baroni‏
Physical Review B 88, 064301, 2013‏
502013
Thermalization of photoexcited carriers in bismuth investigated by time-resolved terahertz spectroscopy and ab initio calculations‏
I Timrov, T Kampfrath, J Faure, N Vast, CR Ast, C Frischkorn, M Wolf, ...‏
Physical Review B—Condensed Matter and Materials Physics 85 (15), 155139, 2012‏
462012
Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds‏
I Timrov, F Aquilante, L Binci, M Cococcioni, N Marzari‏
Physical Review B 102 (23), 235159, 2020‏
412020
Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen‏
Y Xiong, QT Campbell, J Fanghanel, CK Badding, H Wang, ...‏
Energy & Environmental Science 14 (4), 2335-2348, 2021‏
392021
Accurate electronic properties and intercalation voltages of olivine-type Li-ion cathode materials from extended Hubbard functionals‏
I Timrov, F Aquilante, M Cococcioni, N Marzari‏
Phys. Rev. X Energy 1 (3), 033003, 2022‏
302022
Spin dynamics from time-dependent density functional perturbation theory‏
T Gorni, I Timrov, S Baroni‏
Eur. Phys. J. B 91, 249, 2018‏
292018
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مقالات 1–20