Nikolay Kondratyuk

National Research University Higher School of Economics — Russia

Engineering · Physical Sciences

14h-index688citations61works1.62yr avg
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Research Topics

Phase Equilibria and Thermodynamics(18), Material Dynamics and Properties(16), Thermodynamic properties of mixtures(14), Spectroscopy and Quantum Chemical Studies(8), Parallel Computing and Optimization Techniques(6)

Publications61 total

Linking transport, structural and relaxation properties of supercooled 1-methylnaphthalene at high pressures via molecular modeling
Journal of Molecular Liquids·2025
From nanodroplets to macroscopic wettability for rough surfaces: Combining molecular simulations and experiments
Journal of Molecular Liquids·2025
Characterisation of the dominant liquid-liquid interface shape in confined systems during molecular simulations
Molecular Simulation·2025· 1 cited
PARSE: Physical attribute representativity and stationarity evaluator open-source library for 3D images using scalar and vector metrics
Computer Physics Communications·2025· 1 cited
The role of surface material properties on the behavior of ionic liquids in nanoconfinement: A critical review and perspective of theory and simulations
Advances in Colloid and Interface Science·2025· 1 cited
Microsecond-scale sucrose conformational dynamics in aqueous solution via molecular dynamics methods
The Journal of Chemical Physics·2025· 1 citedOpen Access
Towards reproducible wetting studies: Automated contact angle determination by molecular simulations
Colloids and Surfaces A Physicochemical and Engineering Aspects·2025· 3 cited
Atomistic computational modelling of thaumasite and its aqueous interfaces
SPIRE - Sciences Po Institutional REpository·2025
Structure and properties of thaumasite and its aqueous interfaces revealed by molecular dynamics simulations
Cement and Concrete Research·2025· 3 citedOpen Access
Microsecond-scale observation of phase transition and diffusion in 5CB liquid crystal at the molecular level
The Journal of Chemical Physics·2025· 1 cited
Dynamical properties of hydrogen fluid at high pressures
The Journal of Chemical Physics·2025· 3 cited
PANDA: Predicting angle from nanoscale density analysis
Colloids and Surfaces A Physicochemical and Engineering Aspects·2024· 4 cited
Force field comparison for molecular dynamics simulations of liquid membranes
Journal of Molecular Liquids·2024· 9 cited
Predicting viscosity-concentration dependencies of binary organic mixtures using molecular dynamics methods
Fluid Phase Equilibria·2024· 1 cited
The role of surface material properties on the behavior of ionic liquids in nanoconfinement: A critical review and perspective
arXiv (Cornell University)·2024· 2 citedOpen Access
Vliyanie yadernykh kvantovykh effektov na kolebatel'nyy spektr i strukturu endofullerena H2O@C60
Письма в Журнал экспериментальной и теоретической физики·2024Open Access
Influence of Nuclear Quantum Effects on the Vibrational Spectrum and Structure of H2O@C60 Endofullerene
Journal of Experimental and Theoretical Physics Letters·2024· 1 cited
Probing Shear Viscosities of Tributyrin+1-Decanol and 1,2-Butanediol+1-Decanol Mixtures by Molecular Dynamics Methods
SSRN Electronic Journal·2024Open Access
Panda: Predicting Angle from Nanoscale Density Analysis
SSRN Electronic Journal·2024Open Access
Panda: Predicting Angle from Nanoscale Density Analysis
SSRN Electronic Journal·2024Open Access
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Frequent Co-authors

Vladimir Stegailov(13), G. É. Norman(11), A. V. Lankin(7), V. V. Pisarev(6), Kirill M. Gerke(6), Grigory Smirnov(5), Vladimir I. Deshchenya(5), Nikita Orekhov(4), Alexandra A. Timralieva(4), Vladimir V. Shilovskikh(4), Ekaterina V. Skorb(4), Oleg V. Kashurin(4), Ilia Kopanichuk(4), Vsevolod Nikolskiy(3), Alexander Semenov(3), Ivan Bakulin(3), N. M. Chtchelkatchev(3), Alexey Semenchuk(3), Ekaterina Dlinnova(2), Timur Ismagilov(2)