Alexander P Lyubartsev (Alexander Lyubartsev)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 36

Top Venues

Langmuir : the ACS journal of surfaces and colloids

The journal of physical chemistry. B

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Stockholm University

St.Petersburg (Leningrad) State University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Stockholm University

Sweden

Professor :: Materials and Environmental Chemistry

Education History

St.Petersburg (Leningrad) State University Jun 01 1985 - Jun 30 1988

Russia

PHD :: Physics

Publications

Marzieh Saeedimasine, Roja Rahmani, Alexander P Lyubartsev
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning. Journal of chemical information and modeling 64 (9) (2024)
Marzieh Saeedimasine, Roja Rahmani, Alexander P Lyubartsev
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning. Journal of chemical information and modeling 64 (9) (2024)
Lorenzo Agosta, Luca Fiore, Noemi Colozza, Guillermo Pérez-Ropero, Alexander P Lyubartsev, Fabiana Arduini, Kersti Hermansson
Adsorption of Glycine on TiO 2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy. Langmuir : the ACS journal of surfaces and colloids 40 (23) (2024)
Lorenzo Agosta, Luca Fiore, Noemi Colozza, Guillermo Pérez-Ropero, Alexander P Lyubartsev, Fabiana Arduini, Kersti Hermansson
Adsorption of Glycine on TiO 2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy. Langmuir : the ACS journal of surfaces and colloids (2024)
Lorenzo Agosta, Luca Fiore, Noemi Colozza, Guillermo Pérez-Ropero, Alexander P Lyubartsev, Fabiana Arduini, Kersti Hermansson
Adsorption of Glycine on TiO 2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy. Langmuir : the ACS journal of surfaces and colloids (2024)
Mikhail Ivanov, Alexander P Lyubartsev
Development of a bottom-up coarse-grained model for interactions of lipids with TiO 2 nanoparticles. Journal of computational chemistry 45 (16) (2024)
Lorenzo Agosta, Luca Fiore, Noemi Colozza, Guillermo Pérez-Ropero, Alexander P Lyubartsev, Fabiana Arduini, Kersti Hermansson
Adsorption of Glycine on TiO 2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy. Langmuir : the ACS journal of surfaces and colloids 40 (23) (2024)
Mikhail Ivanov, Alexander P Lyubartsev
Development of a bottom-up coarse-grained model for interactions of lipids with TiO 2 $$ {}_2 $$ nanoparticles. Journal of computational chemistry (2024)
Marzieh Saeedimasine, Roja Rahmani, Alexander P Lyubartsev
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning. Journal of chemical information and modeling 64 (9) (2024)
Marzieh Saeedimasine, Roja Rahmani, Alexander P Lyubartsev
Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning. Journal of chemical information and modeling (2024)
Radost Herboth, Alexander P Lyubartsev
Exploring Carbamazepine Polymorph Crystal Growth in Water by Enhanced Sampling Simulations. ACS omega 9 (34) (2024)
Lorenzo Agosta, Luca Fiore, Noemi Colozza, Guillermo Pérez-Ropero, Alexander P Lyubartsev, Fabiana Arduini, Kersti Hermansson
Adsorption of Glycine on TiO 2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy. Langmuir : the ACS journal of surfaces and colloids 40 (23) (2024)
Radost Herboth, Alexander P Lyubartsev
Exploring Carbamazepine Polymorph Crystal Growth in Water by Enhanced Sampling Simulations. ACS omega 9 (34) (2024)
Roja Rahmani, Alexander P Lyubartsev
Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular Dynamics Simulation Study of the Adsorption Preferences, Effects of the Surface Curvature and Coating. Nanomaterials (Basel, Switzerland) 13 (15) (2023)
Fredrik Grote, Alexander P Lyubartsev, Sergey V Dvinskikh, Vibhu Rinwa, Jan Holmbäck
Phase equilibrium, dynamics and rheology of phospholipid-ethanol mixtures: a combined molecular dynamics, NMR and viscometry study. Physical chemistry chemical physics : PCCP (2023)
Mikhail Ivanov, Maksim Posysoev, Alexander P Lyubartsev
Coarse-Grained Modeling Using Neural Networks Trained on Structural Data. Journal of chemical theory and computation (2023)
Paulo H B Brant Carvalho, Mikhail Ivanov, Ove Andersson, Thomas Loerting, Marion Bauer, Chris A Tulk, Bianca Haberl, Luke L Daemen, Jamie J Molaison, Katrin Amann-Winkel, Alexander P Lyubartsev, Craig L Bull, Nicholas P Funnell, Ulrich Häussermann
Neutron scattering study of polyamorphic THF·17(H 2 O) - toward a generalized picture of amorphous states and structures derived from clathrate hydrates. Physical chemistry chemical physics : PCCP (2023)
Marzieh Saeedimasine, Fredrik Grote, Alexander P Lyubartsev
Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment. The journal of physical chemistry. A (2023)
Fredrik Grote, Alexander P Lyubartsev
Water structure, dynamics and reactivity on a TiO 2 -nanoparticle surface: new insights from ab initio molecular dynamics. Nanoscale 14 (44) (2022)
Tiedong Sun, Vishal Minhas, Alexander Mirzoev, Nikolay Korolev, Alexander P Lyubartsev, Lars Nordenskiöld
A Bottom-Up Coarse-Grained Model for Nucleosome-Nucleosome Interactions with Explicit Ions. Journal of chemical theory and computation 18 (6) (2022)
Delphine Ménard, Leonard Blaschek, Konstantin Kriechbaum, Cheng Choo Lee, Henrik Serk, Chuantao Zhu, Alexander P Lyubartsev, Nuoendagula, Zoltán Bacsik, Lennart Bergström, Aji P Mathew, Shinya Kajita, Edouard Pesquet
Plant biomechanics and resilience to environmental changes are controlled by specific lignin chemistries in each vascular cell type and morphotype. The Plant cell (2022)
Alexei Nikitin, Vladislava Milchevskaya, Alexander P Lyubartsev
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC. Journal of computational chemistry 42 (11) (2021)
Paulo H B Brant Carvalho, Pedro Ivo R Moraes, Alexandre Amaral Leitão, Ove Andersson, Chris A Tulk, Jamie Molaison, Alexander P Lyubartsev, Ulrich Häussermann
Structural investigation of three distinct amorphous forms of Ar hydrate. RSC advances 11 (49) (2021)
Mikhail Ivanov, Alexander P Lyubartsev
Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces. The journal of physical chemistry. B 125 (29) (2021)
Ian Rouse, David Power, Erik G Brandt, Matthew Schneemilch, Konstantinos Kotsis, Nick Quirke, Alexander P Lyubartsev, Vladimir Lobaskin
First principles characterisation of bio-nano interface. Physical chemistry chemical physics : PCCP 23 (24) (2021)
Marzieh Saeedimasine, Erik G Brandt, Alexander P Lyubartsev
Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions. The journal of physical chemistry. B 125 (1) (2020)
Inna Ermilova, Alexander P Lyubartsev
Modelling of interactions between Aβ(25-35) peptide and phospholipid bilayers: effects of cholesterol and lipid saturation. RSC advances 10 (7) (2020)
Fredrik Grote, Alexander P Lyubartsev
Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids. The journal of physical chemistry. B 124 (40) (2020)
Inna Ermilova, Alexander P Lyubartsev
Cholesterol in phospholipid bilayers: positions and orientations inside membranes with different unsaturation degrees. Soft matter 15 (1) (2019)
Nikolaos Ntarakas, Inna Ermilova, Alexander P Lyubartsev
Effect of lipid saturation on amyloid-beta peptide partitioning and aggregation in neuronal membranes: molecular dynamics simulations. European biophysics journal : EBJ 48 (8) (2019)
Federico Elías-Wolff, Martin Lindén, Alexander P Lyubartsev, Erik G Brandt
Curvature sensing by cardiolipin in simulated buckled membranes. Soft matter 15 (4) (2019)
Saeed Mortezazadeh, Yousef Jamali, Hossein Naderi-Manesh, Alexander P Lyubartsev
Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure. PloS one 14 (4) (2019)
Lorenzo Agosta, Erik G Brandt, Alexander P Lyubartsev
Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics. The Journal of chemical physics 147 (2) (2018)
Fredrik Grote, Inna Ermilova, Alexander P Lyubartsev
Molecular Dynamics Simulations of Furfural and 5-Hydroxymethylfurfural at Ambient and Hydrothermal Conditions. The journal of physical chemistry. B 122 (35) (2018)
Alexander L Rabinovich, Alexander P Lyubartsev, Dmitrii V Zhurkin
Unperturbed hydrocarbon chains and liquid phase bilayer lipid chains: a computer simulation study. European biophysics journal : EBJ 47 (2) (2017)
Inna Ermilova, Alexander P Lyubartsev
Extension of the Slipids Force Field to Polyunsaturated Lipids. The journal of physical chemistry. B 120 (50) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Alexander P Lyubartsev (Alexander Lyubartsev)