28 citations · 99 across the 16 of their papers we have counts for
3 papers · 1 filter
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…