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Iurii Timrov

Iurii Timrov

École Polytechnique Fédérale de Lausanne - Lausanne / Switzerland
Natural Sciences / Physics
AD Scientific Index ID: 1152927
Eidgenössische Technische Hochschule Lausanne
person_outline Iurii Timrov's MOST POPULAR ARTICLES
1-) Advanced capabilities for materials modelling with Quantum ESPRESSO Journal of physics: Condensed matter 29 (46), 465901, 2017
2-) Quantum ESPRESSO toward the exascale J. Chem. Phys. 152, 154105, 2020
3-) Hubbard parameters from density-functional perturbation theory Physical Review B 98 (8), 085127, 2018
4-) Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations Physical Review B 103 (4), 045141, 2021
5-) Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps Applied Sciences 11 (5), 2395, 2021