22 citations · 94 across the 12 of their papers we have counts for
4 papers · 1 filter
Neural network interpolation of exchange-correlation functional
Alexander Ryabov, Iskander Akhatov, Petr Zhilyaev
Density functional theory (DFT) is one of the most widely used tools to solve the many-body Schrodinger equation. The core uncertainty inside DFT theory is the exchange-correlation…
Model of graphene nanobubble: combining classical density functional and elasticity theories
T. F. Aslyamov, E. S. Iakovlev, I. Sh. Akhatov +1
A graphene nanobubble consists of a graphene sheet, an atomically flat substrate and a substance enclosed between them. Unlike conventional confinement with rigid walls and a fixed…
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…
GPU accelerated fast multipole boundary element method for simulation of 3D bubble dynamics in potential flow
Nail A. Gumerov, Yulia A. Pityuk, Olga A. Abramova +1
A numerical method for simulation of bubble dynamics in three-dimensional potential flows is presented. The approach is based on the boundary element method for the Laplace equatio…