| Linking theoretical and simulation approaches to study fluids in nanoporous media: Molecular dynamics and classical density functional theory M Vaganova, I Nesterova, Y Kanygin, A Kazennov, A Khlyupin Chemical Engineering Science 250, 117383, 2022 | 13 | 2022 |
| Adaptive intermolecular interaction parameters for accurate Mixture Density Functional Theory calculations I Nesterova, Y Kanygin, P Lomovitskiy, A Khlyupin Chemical Engineering Science 254, 117628, 2022 | 5 | 2022 |
| Molecular scale roughness effects on electric double layer structure in asymmetric ionic liquids A Khlyupin, I Nesterova, K Gerke Electrochimica Acta 450, 142261, 2023 | 3 | 2023 |
| Simulations of nanoscale gas flow with Knudsen diffusion and slip flow IS Nesterova, KM Gerke Mathematical Models and Computer Simulations 13, 971-978, 2021 | 3 | 2021 |
| Расчёт течения газа в нанокапилляре с учётом кнудсеновской диффузии и проскальзывания ИС Нестерова, КМ Герке Математическое моделирование 33 (3), 85-97, 2021 | 2 | 2021 |
| Variation-Free Approach for Density Functional Theory: Data-Driven Stochastic Optimization Y Kanygin, I Nesterova, P Lomovitskiy, A Khlyupin Industrial & Engineering Chemistry Research 61 (21), 7403-7413, 2022 | 1 | 2022 |
Aleksey KhlyupinMIPTEmail confirmado em phystech.edu
