| The aluminum-ion battery: a sustainable and seminal concept? T Leisegang, F Meutzner, M Zschornak, W Münchgesang, R Schmid, ... Frontiers in chemistry 7, 268, 2019 | 216 | 2019 |
| Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction, and Machine Learning Techniques RA Eremin, PN Zolotarev, OY Ivanshina, IA Bobrikov The Journal of Physical Chemistry C 121 (51), 28293-28305, 2017 | 50 | 2017 |
| High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches RA Eremin, NA Kabanova, YA Morkhova, AA Golov, VA Blatov Solid State Ionics 326, 188-199, 2018 | 47 | 2018 |
| Kinetics of cluster growth in polar solutions of fullerene: Experimental and theoretical study of C60/NMP solution TV Tropin, N Jargalan, MV Avdeev, OA Kyzyma, RA Eremin, D Sangaa, ... Journal of Molecular Liquids 175, 4-11, 2012 | 42 | 2012 |
| Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon EV Alexandrov, AV Goltsev, RA Eremin, VA Blatov The Journal of Physical Chemistry C 123 (40), 24651-24658, 2019 | 25 | 2019 |
| The CSD and knowledge databases: from answers to questions AP Shevchenko, RA Eremin, VA Blatov CrystEngComm 22 (43), 7298-7307, 2020 | 24 | 2020 |
| Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides V Gulino, A Wolczyk, AA Golov, RA Eremin, M Palumbo, C Nervi, ... Inorganic Chemistry Frontiers 7 (17), 3115-3125, 2020 | 21 | 2020 |
| Towards description of kinetics of dissolution and cluster growth in C60/NMP solutions TV Tropin, MV Avdeev, OA Kyzyma, RA Yeremin, N Jargalan, ... physica status solidi (b) 248 (11), 2728-2731, 2011 | 20 | 2011 |
| New quasicrystal approximant in the Sc–Pd system: from topological data mining to the bench P Solokha, RA Eremin, T Leisegang, DM Proserpio, T Akhmetshina, ... Chemistry of Materials 32 (3), 1064-1079, 2020 | 15 | 2020 |
| Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2 RA Eremin, PN Zolotarev, AA Golov, NA Nekrasova, T Leisegang The Journal of Physical Chemistry C 123 (49), 29533-29542, 2019 | 14 | 2019 |
| Effect of the solute–solvent interface on small-angle neutron scattering from organic solutions of short alkyl chain molecules as revealed by molecular dynamics simulation RA Eremin, K Kholmurodov, VI Petrenko, L Rosta, MV Avdeev Journal of Applied Crystallography 46 (2), 372-378, 2013 | 14 | 2013 |
| Molecular Dynamics Simulations on trans-and cis-Decalins: The Effect of Partial Atomic Charges and Adjustment of" Real Densities" R Eremin, K Kholmurodov, M Avdeev, V Petrenko, K Yasuoka International Journal of Chemistry 4 (1), 14, 2012 | 14 | 2012 |
| Молекулярно-динамическое моделирование взаимодействия растворителя с растворенным веществом в неполярных растворах олеиновой кислоты РА Еремин, ХТ Холмуродов, ВИ Петренко, МВ Авдеев Поверхность. Рентгеновские, синхротронные и нейтронные исследования, 15-15, 2013 | 9 | 2013 |
| Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene RA Eremin, KT Kholmurodov, VI Petrenko, L Rosta, MV Avdeev Physics of the Solid State 56, 81-85, 2014 | 8 | 2014 |
| Boosting Heterogeneous Catalyst Discovery by Structurally Constrained Deep Learning Models AN Korovin, IS Humonen, AI Samtsevich, RA Eremin, AI Vasilev, ... Materials Today Chemistry 30, 101541, 2023 | 7 | 2023 |
| Hybrid dft/data-driven approach for searching for new quasicrystal approximants in sc-x (x= rh, pd, ir, pt) systems RA Eremin, IS Humonen, PN Zolotarev, IV Medrish, LE Zhukov, ... Crystal Growth & Design 22 (7), 4570-4581, 2022 | 7 | 2022 |
| Calculating the bulk properties of decalins and fatty acids in decalin according to data from molecular dynamics simulation RA Eremin, KT Kholmurodov, VI Petrenko, MV Avdeev Russian Journal of Physical Chemistry A 87, 745-751, 2013 | 7 | 2013 |
| Topological analysis of procrystal electron densities as a tool for computational modeling of solid electrolytes: A case study of known and promising potassium conductors PN Zolotarev, AA Golov, NA Nekrasova, RA Eremin AIP Conference Proceedings 2163 (1), 2019 | 5 | 2019 |
| Delithiated states of layered cathode materials: doping and dispersion interaction effects on the structure R Eremin, P Zolotarev, I Bobrikov EPJ Web of Conferences 177, 02001, 2018 | 5 | 2018 |
| Расчет объемных свойств декалинов и жирных кислот в декалине по данным молекулярно-динамического моделирования РА Еремин, ХТ Холмуродов, ВИ Петренко, МВ Авдеев Журнал физической химии 87 (5), 759-759, 2013 | 5 | 2013 |
