| Microsecond atomic-scale molecular dynamics simulations of polyimides SV Lyulin, AA Gurtovenko, SV Larin, VM Nazarychev, AV Lyulin Macromolecules 46 (15), 6357-6363, 2013 | 104 | 2013 |
| Thermal properties of bulk polyimides: insights from computer modeling versus experiment SV Lyulin, SV Larin, AA Gurtovenko, VM Nazarychev, SG Falkovich, ... Soft Matter 10 (8), 1224-1232, 2014 | 90 | 2014 |
| Computer simulations of deep eutectic solvents: Challenges, solutions, and perspectives D Tolmachev, N Lukasheva, R Ramazanov, V Nazarychev, N Borzdun, ... International journal of molecular sciences 23 (2), 645, 2022 | 83 | 2022 |
| Molecular dynamics simulations of uniaxial deformation of thermoplastic polyimides VM Nazarychev, AV Lyulin, SV Larin, AA Gurtovenko, JM Kenny, ... Soft Matter 12 (17), 3972-3981, 2016 | 75 | 2016 |
| Scale-dependent miscibility of polylactide and polyhydroxybutyrate: molecular dynamics simulations AD Glova, SG Falkovich, DI Dmitrienko, AV Lyulin, SV Larin, ... Macromolecules 51 (2), 552-563, 2018 | 67 | 2018 |
| Molecular-dynamics simulation of polyimide matrix pre-crystallization near the surface of a single-walled carbon nanotube SV Larin, SG Falkovich, VM Nazarychev, AA Gurtovenko, AV Lyulin, ... Rsc Advances 4 (2), 830-844, 2014 | 63 | 2014 |
| Toward realistic computer modeling of paraffin-based composite materials: Critical assessment of atomic-scale models of paraffins AD Glova, IV Volgin, VM Nazarychev, SV Larin, SV Lyulin, AA Gurtovenko RSC advances 9 (66), 38834-38847, 2019 | 58 | 2019 |
| Influence of the electrostatic interactions on thermophysical properties of polyimides: molecular‐dynamics simulations SG Falkovich, SV Lyulin, VM Nazarychev, SV Larin, AA Gurtovenko, ... Journal of Polymer Science Part B: Polymer Physics 52 (9), 640-646, 2014 | 53 | 2014 |
| Mechanical properties of a polymer at the interface structurally ordered by graphene SG Falkovich, VM Nazarychev, SV Larin, JM Kenny, SV Lyulin The Journal of Physical Chemistry C 120 (12), 6771-6777, 2016 | 50 | 2016 |
| Parameterization of electrostatic interactions for molecular dynamics simulations of heterocyclic polymers VM Nazarychev, SV Larin, AV Yakimansky, NV Lukasheva, ... Journal of Polymer Science Part B: Polymer Physics 53 (13), 912-923, 2015 | 46 | 2015 |
| Evaluation of thermal conductivity of organic phase-change materials from equilibrium and non-equilibrium computer simulations: Paraffin as a test case VM Nazarychev, AD Glova, IV Volgin, SV Larin, AV Lyulin, SV Lyulin, ... International Journal of Heat and Mass Transfer 165, 120639, 2021 | 45 | 2021 |
| Poly (lactic acid)‐based nanocomposites filled with cellulose nanocrystals with modified surface: all‐atom molecular dynamics simulations AD Glova, SG Falkovich, SV Larin, DA Mezhenskaia, NV Lukasheva, ... Polymer International 65 (8), 892-898, 2016 | 40 | 2016 |
| Correlation between the high-temperature local mobility of heterocyclic polyimides and their mechanical properties VM Nazarychev, AV Lyulin, SV Larin, IV Gofman, JM Kenny, SV Lyulin Macromolecules 49 (17), 6700-6710, 2016 | 38 | 2016 |
| Influence of the carbon nanotube surface modification on the microstructure of thermoplastic binders SV Larin, AD Glova, EB Serebryakov, VM Nazarychev, JM Kenny, ... RSC advances 5 (64), 51621-51630, 2015 | 37 | 2015 |
| Influence of specific intermolecular interactions on the thermal and dielectric properties of bulk polymers: atomistic molecular dynamics simulations of Nylon 6 NV Lukasheva, DA Tolmachev, VM Nazarychev, JM Kenny, SV Lyulin Soft Matter 13 (2), 474-485, 2017 | 33 | 2017 |
| Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation VM Nazarychev, SV Larin, NV Lukasheva, AD Glova, SV Lyulin Polymer Science Series A 55, 570-576, 2013 | 33 | 2013 |
| Machine learning with enormous “synthetic” data sets: Predicting glass transition temperature of polyimides using graph convolutional neural networks IV Volgin, PA Batyr, AV Matseevich, AY Dobrovskiy, MV Andreeva, ... ACS omega 7 (48), 43678-43691, 2022 | 31 | 2022 |
| Toward predictive molecular dynamics simulations of asphaltenes in toluene and heptane AD Glova, SV Larin, VM Nazarychev, JM Kenny, AV Lyulin, SV Lyulin ACS omega 4 (22), 20005-20014, 2019 | 29 | 2019 |
| Multiscale computer simulation of polymer nanocomposites based on thermoplastics SV Lyulin, SV Larin, VM Nazarychev, SG Fal’kovich, JM Kenny Polymer Science Series C 58, 2-15, 2016 | 28 | 2016 |
| Computer simulation of asphaltenes SV Lyulin, AD Glova, SG Falkovich, VA Ivanov, VM Nazarychev, AV Lyulin, ... Petroleum Chemistry 58, 983-1004, 2018 | 27 | 2018 |
Sergey LarinInstitute of Macromolecular Compounds Russian Academy of SciencesVerified email at macro.ru
