| Highly cross-linked epoxy resins: an atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure PV Komarov, C Yu-Tsung, C Shih-Ming, PG Khalatur, P Reineker Macromolecules 40 (22), 8104-8113, 2007 | 230 | 2007 |
| Thermal properties and topology of epoxy networks: a multiscale simulation methodology AA Gavrilov, PV Komarov, PG Khalatur Macromolecules 48 (1), 206-212, 2015 | 95 | 2015 |
| Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport PV Komarov, PG Khalatur, AR Khokhlov Beilstein journal of nanotechnology 4 (1), 567-587, 2013 | 78 | 2013 |
| Atomistic and mesoscale simulation of polymer electrolyte membranes based on sulfonated poly (ether ether ketone) PV Komarov, IN Veselov, PP Chu, PG Khalatur, AR Khokhlov Chemical Physics Letters 487 (4-6), 291-296, 2010 | 68 | 2010 |
| Investigation of Thermal Expansion of Polyimide/SiO2 Nanocomposites by Molecular Dynamics Simulations PV Komarov, YT Chiu, SM Chen, P Reineker Macromolecular Theory and Simulations 19 (1), 64-73, 2010 | 63 | 2010 |
| Mesoscale simulation of polymer electrolyte membranes based on sulfonated poly (ether ether ketone) and Nafion PV Komarov, IN Veselov, PP Chu, PG Khalatur Soft Matter 6 (16), 3939-3956, 2010 | 58 | 2010 |
| Исследование термодинамических характеристик нанокластеров золота с использованием многочастичного потенциала Гупта НЮ Сдобняков, ПВ Комаров, ДН Соколов, ВМ Самсонов Физика металлов и металловедение 111 (1), 15-22, 2011 | 52 | 2011 |
| Mechanism of gelation in low-concentration aqueous solutions of silver nitrate with l-cysteine and its derivatives SD Khizhnyak, PV Komarov, MM Ovchinnikov, LV Zherenkova, ... Soft Matter 13 (30), 5168-5184, 2017 | 47 | 2017 |
| Molecular-dynamics simulations of thin polyisoprene films confined between amorphous silica substrates DV Guseva, PV Komarov, AV Lyulin The journal of chemical physics 140 (11), 2014 | 46 | 2014 |
| Molecular Dynamics Study of Interface Structure in Composites Comprising Surface‐Modified SiO2 Nanoparticles and a Polyimide Matrix PV Komarov, IV Mikhailov, YT Chiu, SM Chen, PG Khalatur Macromolecular Theory and Simulations 22 (3), 187-197, 2013 | 34 | 2013 |
| A supramolecular medical hydrogel based on L-cysteine and silver ions PM Pakhomov, MM Ovchinnikov, SD Khizhnyak, OA Roshchina, ... Polymer Science Series A 53, 820-826, 2011 | 32 | 2011 |
| Моделирование процесса металлизации фрагмента молекулы дезорибонуклеиновой кислоты наночастицами золота ЛВ Жеренкова, ПВ Комаров, ПГ Халатур Коллоидный журнал 69 (6), 753-765, 2007 | 29 | 2007 |
| Simulation of phase transformations in titanium nanoalloy at different cooling rates NY Sdobnyakov, VS Myasnichenko, CH San, YT Chiu, PM Ershov, ... Materials Chemistry and Physics 238, 121895, 2019 | 28 | 2019 |
| Crosslinking mechanisms, structure and glass transition in phthalonitrile resins: insight from computer multiscale simulations and experiments DV Guseva, VY Rudyak, PV Komarov, AV Sulimov, BA Bulgakov, ... Journal of Polymer Science Part B: Polymer Physics 56 (5), 362-374, 2018 | 28 | 2018 |
| Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane S Sengupta, R Pant, P Komarov, A Venkatnathan, AV Lyulin International Journal of Hydrogen Energy 42 (44), 27254-27268, 2017 | 27 | 2017 |
| Long-range correlations in polymer-containing ionic liquids: the case of good solubility LV Zherenkova, PV Komarov, AS Pavlov The Journal of Physical Chemistry Letters 1 (8), 1186-1190, 2010 | 27 | 2010 |
| Computer simulation of the assembly of gold nanoparticles on DNA fragments via electrostatic interaction PV Komarov, LV Zherenkova, PG Khalatur The Journal of Chemical Physics 128 (12), 2008 | 26 | 2008 |
| СУПРАМОЛЕКУЛЯРНЫЙ ГИДРОГЕЛЬ МЕДИЦИНСКОГО НАЗНАЧЕНИЯ НА ОСНОВЕ L-ЦИСТЕИНА И ИОНОВ СЕРЕБРА ПМ Пахомов, ММ Овчинников, СД Хижняк, ОА Рощина, ПВ Комаров Высокомолекулярные соединения. Серия А 53 (9), 1574-1581, 2011 | 24 | 2011 |
| Accounting for π–π stacking interactions in the mesoscopic models of conjugated polymers VY Rudyak, AA Gavrilov, DV Guseva, SH Tung, PV Komarov Molecular Systems Design & Engineering 5 (6), 1137-1146, 2020 | 23 | 2020 |
| Self-assembly of lecithin and bile salt in the presence of inorganic salt in water: mesoscale computer simulation AA Markina, VA Ivanov, PV Komarov, AR Khokhlov, SH Tung The Journal of Physical Chemistry B 121 (33), 7878-7888, 2017 | 22 | 2017 |
Pavel G. KhalaturInstitute of Advanced Energy Related Nanomaterials, Ulm University, Germany (ORCID: 0000-0001-5480Verified email at uni-ulm.de
