| 1 |
Development and Testing of an All-Atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents
Sundaram V, Lyulin AV, Baumeier B
Journal of Physical Chemistry B, 124(48), 11030, 2020 |
| 2 |
Unveiling the Mechanism of the Location of the Grafted Nanoparticles in a Lamellar-Forming Block Copolymer
Gao K, Wan HX, Tsen EJL, Liu J, Lyulin AV, Zhang LQ
Langmuir, 36(1), 194, 2020 |
| 3 |
Molecular Modeling of Structure and Dynamics of Nafion Protonation States
Sengupta S, Lyulin AV
Journal of Physical Chemistry B, 123(31), 6882, 2019 |
| 4 |
Molecular Dynamics Simulations of Substrate Hydrophilicity and Confinement Effects in Capped Nafion Films
Sengupta S, Lyulin AV
Journal of Physical Chemistry B, 122(22), 6107, 2018 |
| 5 |
Simulating local mobility and mechanical properties of thermostable polyimides with different dianhydride fragments
Nazarychev VM, Dobrovskiy AY, Larin SV, Lyulin AV, Lyulin SV
Journal of Polymer Science Part B: Polymer Physics, 56(5), 375, 2018 |
| 6 |
Salt concentration dependence of the mechanical properties of LiPF6/poly(propylene glycol) acrylate electrolyte at a graphitic carbon interface: A reactive molecular dynamics study
Verners O, Lyulin AV, Simone A
Journal of Polymer Science Part B: Polymer Physics, 56(9), 718, 2018 |
| 7 |
Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations
Glova AD, Falkovich SG, Dmitrienko DI, Lyulin AV, Larin SV, Nazarychev VM, Karttunen M, Lyulin SV
Macromolecules, 51(2), 552, 2018 |
| 8 |
Computer Simulation of Asphaltenes
Lyulin SV, Glova AD, Falkovich SG, Ivanov VA, Nazarychev VM, Lyulin AV, Larin SV, Antonov SV, Ganan P, Kenny JM
Petroleum Chemistry, 58(12), 983, 2018 |
| 9 |
Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites
Volgin IV, Larin SV, Lyulin AV, Lyulin SV
Polymer, 145, 80, 2018 |
| 10 |
Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane
Sengupta S, Pant R, Komarou P, Venkatnathan A, Lyulin AV
International Journal of Hydrogen Energy, 42(44), 27254, 2017 |
