| Thermochemical electronegativities of the elements C Tantardini, AR Oganov Nature Communications 12 (1), 2087, 2021 | 413 | 2021 |
| Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl KA Tikhomirova, C Tantardini, EV Sukhanova, ZI Popov, SA Evlashin, ... The Journal of Physical Chemistry Letters 11 (10), 3821-3827, 2020 | 58 | 2020 |
| Sr‐Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH DV Semenok, W Chen, X Huang, D Zhou, IA Kruglov, AB Mazitov, ... Advanced Materials 34 (27), 2200924, 2022 | 36 | 2022 |
| Computational Modeling of 2D Materials under High Pressure and Their Chemical Bonding: Silicene as Possible Field-Effect Transistor C Tantardini, AG Kvashnin, C Gatti, BI Yakobson, X Gonze ACS nano 15 (4), 6861-6871, 2021 | 33 | 2021 |
| When does a hydrogen bond become a van der Waals interaction? a topological answer C Tantardini Journal of computational chemistry 40 (8), 937-943, 2019 | 31 | 2019 |
| Computational Search for New W–Mo–B Compounds AG Kvashnin, C Tantardini, HA Zakaryan, YA Kvashnina, AR Oganov Chemistry of Materials 32 (16), 7028-7035, 2020 | 30 | 2020 |
| Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe–Al AS Kotykhov, K Gubaev, M Hodapp, C Tantardini, AV Shapeev, ... Scientific Reports 13 (1), 19728, 2023 | 27 | 2023 |
| Constrained Density Functional Theory: A Potential-Based Self-Consistency Approach X Gonze, B Seddon, JA Elliott, C Tantardini, AV Shapeev Journal of Chemical Theory and Computation 18 (10), 6099-6110, 2022 | 25 | 2022 |
| The volumetric source function: Looking inside van der Waals Interactions C Tantardini, AAL Michalchuk, A Samtsevich, C Rota, AG Kvashnin Scientific Reports 10 (1), 7816, 2020 | 25 | 2020 |
| Electronic Properties of Functionalized Diamanes for Field-Emission Displays C Tantardini, AG Kvashnin, M Azizi, X Gonze, C Gatti, T Altalhi, ... ACS Applied Materials & Interfaces 15 (12), 16317-16326, 2023 | 20 | 2023 |
| The role of S-bond in tenoxicam keto–enolic tautomerization SG Arkhipov, PS Sherin, AS Kiryutin, VA Lazarenko, C Tantardini CrystEngComm 21 (36), 5392-5401, 2019 | 18 | 2019 |
| Variational density functional perturbation theory for metals X Gonze, S Rostami, C Tantardini Physical Review B 109, 014317, 2024 | 17 | 2024 |
| Hypervalency in organic crystals: A case study of the oxicam sulfonamide group C Tantardini, EV Boldyreva, E Benassi The Journal of Physical Chemistry A 120 (51), 10289-10296, 2016 | 16 | 2016 |
| Crystal structure of a 2: 1 co-crystal of meloxicam with acetylendicarboxylic acid C Tantardini, SG Arkhipov, KA Cherkashina, AS Kil'met'ev, EV Boldyreva Acta Crystallographica Section E: Crystallographic Communications 72 (12 …, 2016 | 16 | 2016 |
| Crystal Structure Evolution of Fluorine under High Pressure C Tantardini, FN Jalolov, AG Kvashnin The Journal of Physical Chemistry C 126 (27), 11358-11364, 2022 | 15 | 2022 |
| Seeking the best model for non-covalent interactions within the crystal structure of meloxicam AY Fedorov, TN Drebushchak, C Tantardini Computational and Theoretical Chemistry 1157, 47-53, 2019 | 15 | 2019 |
| Material hardness descriptor derived by symbolic regression C Tantardini, HA Zakaryan, ZK Han, T Altalhi, SV Levchenko, ... Journal of Computational Science, 102402, 2024 | 14* | 2024 |
| “Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers C Tantardini, S Kokott, X Gonze, SV Levchenko, WA Saidi Applied Materials Today 26, 101380, 2022 | 14 | 2022 |
| GIPAW Pseudopotentials of d Elements for Solid-State NMR C Tantardini, A Kvashnin, D Ceresoli Materials 15 (9), 3347, 2022 | 14 | 2022 |
| Crystal structure resolution of an insulator due to the cooperative Jahn–Teller effect through Bader's theory: the challenging case of cobaltite oxide Y114 C Tantardini, E Benassi Dalton Transactions 47 (15), 5483-5491, 2018 | 14 | 2018 |
Alexander G. KvashninFull Professor, Skolkovo Institute of Science and TechnologyVerified email at skoltech.ru
