28 citations · 99 across the 16 of their papers we have counts for
16 papers
A New Framework for Interfacial Statistics: Exact n-Point Correlations of Gaussian Level Sets
Aleksei M. Cherkasov, Kirill M. Gerke, Aleksey Khlyupin
We derive exact analytical expressions for higher-order correlations of Gaussian level-set interfaces, establishing a direct link between bulk field statistics and interface geomet…
Bridging scales in porous media: cDFT-informed pore network modelling for fluid transport with nanoconfined phase behavior
Irina Nesterova, Rustem Sirazov, Aleksey Khlyupin
The simulation of fluid flow in real, multiscale porous media remains challenging due to the complexity of nanoscale phenomena and the difficulty of developing upscaling methodolog…
The role of surface material properties on the behavior of ionic liquids in nanoconfinement: A critical review and perspective
Irina Nesterova, Nikolay Kondratyuk, Yury Budkov +2
Room temperature ionic liquids show great promise as electrolytes in various technological applications, such as energy storage or electrotunable lubrication. These applications ar…
Mechanism of overscreening breakdown by electrode surface morphology in asymmetric ionic liquids
Irina Nesterova, Aleksey Khlyupin, Nikolay Evstigneev +2
The interfacial nature of the electric double layer (EDL) assumes that electrode surface morphology significantly impacts the EDL properties. Since molecular-scale roughness modifi…
Towards effective information content assessment: analytical derivation of information loss in the reconstruction of random fields with model uncertainty
Aleksei Cherkasov, Kirill M. Gerke, Aleksey Khlyupin
Structures are abundant in both natural and human-made environments and usually studied in the form of images or scattering patterns. To characterize structures a huge variety of d…
Prior Global Search Stability on Finite Graphs with Uncertainty. May Greedy Search Win?
Andrey Ananev, Aleksey Khlyupin
This research paper addresses the stability of search algorithms in complex networks when dealing with incomplete information or uncertainty. We propose a theoretical model to inve…
Molecular scale ion separation driven by surface roughness and ion size asymmetry: new analytical solutions for differential capacitance of EDL
Aleksey Khlyupin, Irina Nesterova, Kirill Gerke
Electrode surface roughness significantly impacts the structure of electric double layer on a molecular scale. We derive analytical solutions for differential capacitance (DC) of e…
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,…
Adaptive intermolecular interaction parameters for accurate Mixture Density Functional Theory calculations
Irina Nesterova, Yuriy Kanygin, Pavel Lomovitskiy +1
The description of fluid mixtures molecular behavior is significant for various industry fields due to the complex composition of fluid found in nature. Statistical mechanics appro…
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…
Density Functional Theory Formulation for Fluid Adsorption on Correlated Random Surfaces
Timur Aslyamov, Aleksey Khlyupin
We provide novel random surface density functional theory (RSDFT) formulation in the case of geometric heterogeneous surface of solid media which is essential for description of th…
Random Process Theory Approach to Geometric Heterogeneous Surfaces: Effective Fluid-Solid Interaction
Aleksey Khlyupin, Timur Aslyamov
Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is…