Yuriy Kanygin

Variation-Free Approach for Density Functional Theory: Data-Driven Stochastic Optimization

A. Khlyupin, Yuriy Kanygin, Irina Nesterova, 2022, Industrial & Engineering Chemistry Research.

Variation Free Density Functional Theory: Data-driven Stochastic Optimization

I. Nesterova, A. Khlyupin, Yuriy Kanygin, 2020 .

Variation Free Molecular Density Functional Theory: Data-driven Stochastic Optimization.

I. Nesterova, A. Khlyupin, Yuriy Kanygin, 2020 .

Development of fast numerical density functional theory methods for studying the structures of nanoporous materials

Yuriy Kanygin, 2020, 2007.10289.

Variation Free Approach for Molecular Density Functional Theory: Data-driven Stochastic Optimization

I. Nesterova, A. Khlyupin, Yuriy Kanygin, 2020, 2011.08551.

Adaptive intermolecular interaction parameters for accurate Mixture Density Functional Theory calculations

I. Nesterova, A. Khlyupin, Yuriy Kanygin, 2021, Chemical Engineering Science.

Linking Theoretical and Simulation Approaches to Study Fluids in Nanoporous Media: Molecular Dynamics and Classical Density Functional Theory

A. Khlyupin, Yuriy Kanygin, Irina Nesterova, 2021, Chemical Engineering Science.

Linking Theoretical and Simulation Approaches to Study Fluids in Nanoporous Media: Classical Molecular Dynamics and Density Functional Theory

I. Nesterova, A. Khlyupin, Yuriy Kanygin, 2021, 2105.06914.