Sergey Gusarov

发表

Application of multiscale theory and modeling to nanoscience and nanotechnology

Sergey Gusarov, 2014 .

Development of Fukui Function Based Descriptors for a Machine Learning Study of CO2 Reduction

Sergey Gusarov, Stanislav R. Stoyanov, Samira Siahrostami, 2020 .

Mesoscopic study of dynamics and gelation ability of oligomeric electrolyte gelator with dissipative particle dynamics

X. Liu, Andriy Kovalenko, Sergey Gusarov, 2011, ICCS.

Efficient treatment of solvation shells in 3D molecular theory of solvation

Andriy Kovalenko, Sergey Gusarov, Bhalchandra S. Pujari, 2012, J. Comput. Chem..

Molecular Dynamics Study of Streptavidin Binding to Surface-Immobilized Biotin

Qingbin Li, Andriy Kovalenko, Sergey Gusarov, 2008, 2008 International Symposium on Computer Science and Computational Technology.

Solvation structure and gelation ability of polyelectrolytes: predictions by quantum chemistry methods and integral equation theory of molecular liquids

Andriy Kovalenko, X. Liu, Sergey Gusarov, 2011, ICCS.

Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber.

Carlos Simmerling, Andriy Kovalenko, Tyler Luchko, 2010, Journal of chemical theory and computation.

An MM/3D-RISM approach for ligand binding affinities.

Andriy Kovalenko, Samuel Genheden, Ulf Ryde, 2010, The journal of physical chemistry. B.

Molecular theory of solvation for supramolecules and soft matter structures: application to ligand binding, ion channels, and oligomeric polyelectrolyte gelators

Masaru Yoshida, Andriy Kovalenko, Sergey Gusarov, 2012 .

Diazonium-derived aryl films on gold nanoparticles: evidence for a carbon-gold covalent bond.

Andriy Kovalenko, Rongbing Du, Sergey Gusarov, 2011, ACS nano.

Modeling solvatochromic shifts using the orbital-free embedding potential at statistically mechanically averaged solvent density.

Andriy Kovalenko, Tomasz A Wesolowski, Sergey Gusarov, 2010, The journal of physical chemistry. A.

Optical control of selectivity of high rate CO2 photoreduction via interband- or hot electron Z-scheme reaction pathways in Au-TiO2 plasmonic photonic crystal photocatalyst

Sheng Zeng, Pawan Kumar, Piyush Kar, 2020 .

Single-side-hydrogenated graphene: Density functional theory predictions

Michael J. Brett, Andriy Kovalenko, Sergey Gusarov, 2011 .