Microsecond Atomic-Scale Molecular Dynamics Simulations of Polyimides SV Lyulin, AA Gurtovenko, SV Larin, VM Nazarychev, AV Lyulin Macromolecules 46 (15), 6357-6363, 2013 | 99 | 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 | 82 | 2014 |
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 | 69 | 2016 |
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 | 60 | 2022 |
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 | 60 | 2014 |
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 | 58 | 2018 |
Correction to Molecular Dynamics Simulations of Fullerene Diffusion in Polymer Melts IV Volgin, SV Larin, E Abad, SV Lyulin Macromolecules 50 (17), 6977-6977, 2017 | 55* | 2017 |
Molecular Dynamics Simulations of Fullerene Diffusion in Polymer Melts IV Volgin, SV Larin, E Abad, SV Lyulin Macromolecules 50 (5), 2207-2218, 2017 | 55 | 2017 |
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 | 52 | 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 | 51 | 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 | 48 | 2016 |
Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties SV Lyulin, SV Larin, AA Gurtovenko, NV Lukasheva, VE Yudin, ... Polymer Science Series A 54 (8), 631-643, 2012 | 45 | 2012 |
Influence of the carbon nanofiller surface curvature on the initiation of crystallization in thermoplastic polymers SG Falkovich, SV Larin, AV Lyulin, VE Yudin, JM Kenny, SV Lyulin RSC Advances 4 (89), 48606-48612, 2014 | 44 | 2014 |
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 | 42 | 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 | 40 | 2021 |
Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites IV Volgin, SV Larin, AV Lyulin, SV Lyulin Polymer 145, 80-87, 2018 | 39 | 2018 |
Interpolyelectrolyte complexes between starlike and linear macromolecules: a structural model for nonviral gene vectors SV Larin, AA Darinskii, EB Zhulina, OV Borisov Langmuir 25 (4), 1915-1918, 2009 | 38 | 2009 |
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 | 36 | 2016 |
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 | 35 | 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 | 34 | 2015 |