23 citations · 43 across the 2 of their papers we have counts for
7 papers
Adaptive phase-retrieval stochastic reconstruction with correlation functions: 3D images from 2D cuts
Aleksei Cherkasov, Andrey Ananev, Marina Karsanina +2
Precise characterization of three-dimensional heterogeneous media is indispensable in finding the relationships between structure and macroscopic physical properties (permeability,…
Linking Theoretical and Simulation Approaches to Study Fluids in Nanoporous Media: Classical Molecular Dynamics and Density Functional Theory
Mariia Vaganova, Irina Nesterova, Yuriy Kanygin +2
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It…
Variation Free Approach for Molecular Density Functional Theory: Data-driven Stochastic Optimization
Yuriy Kanygin, Irina Nesterova, Pavel Lomovitskiy +1
Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this…
Detailed Characterization of Rough Surfaces for Silica Materials
Timur Aslyamov, Aleksey Khlyupin, Vera Pletneva +1
We propose a new approach to obtain the nanoscale morphology of rough surfaces from low-temperature adsorption experiments. Our method is based on one of the most realistic models…
Branching random graph model of rough surfaces describes thermal properties of the effective molecular potential
Aleksey Khlyupin, Timur Aslyamov
Fluid properties near rough surfaces are crucial in describing fundamental surface phenomena and modern industrial material design implementations. One of the most powerful approac…
Random Surface Statistical Associating Fluid Theory: Adsorption of n-Alkanes on Rough Surface
Timur Aslyamov, Vera Pletneva, Aleksey Khlyupin
Adsorption properties of chain fluids are of interest from both fundamental and industrial points of view. Density Functional Theory (DFT) based models are among the most appropria…