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Alexander P. Lyubartsev

Alexander P. Lyubartsev

D-Index & Metrics

Chemistry

D-Index
66
Citations
14461
World Ranking
7345
National Ranking
96

Overview

Alexander P. Lyubartsev is affiliated with Stockholm University in Sweden and conducts research primarily within the fields of Materials Science and Biochemistry, Genetics and Molecular Biology. Their work spans several subfields, including Molecular Biology, Materials Chemistry, Atomic and Molecular Physics, and Optics, as well as Renewable Energy, Sustainability and the Environment, and Biomedical Engineering.

The main topics addressed in their research include:

  • Lipid Membrane Structure and Behavior
  • Spectroscopy and Quantum Chemical Studies
  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Advanced Photocatalysis Techniques
  • Quantum Dots Synthesis And Properties
  • DNA and Nucleic Acid Chemistry

Lyubartsev has contributed to a number of recent papers published across various scientific journals. Selected recent publications include:

  • "Semiconducting piezoelectric heterostructures for piezo- and piezophotocatalysis," 2022, Nano Energy
  • "NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment," 2020, Computational and Structural Biotechnology Journal
  • "Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids," 2020, The Journal of Physical Chemistry B
  • "Efficient Production of Solar Hydrogen Peroxide Using Piezoelectric Polarization and Photoinduced Charge Transfer of Nanopiezoelectrics Sensitized by Carbon Quantum Dots," 2022, Advanced Science
  • "Plant biomechanics and resilience to environmental changes are controlled by specific lignin chemistries in each vascular cell type and morphotype," 2022, The Plant Cell

Frequent co-authors collaborating with Lyubartsev include Vladimir Lobaskin, Fredrik Grote, Mikhail Ivanov, Marzieh Saeedimasine, and M. Schneemilch.

The scientist's work has been published multiple times in several notable journals and venues, including:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Physical Chemistry B
  • Physical Chemistry Chemical Physics
  • Advanced Materials
  • Journal of Chemical Theory and Computation

Best Publications

  • New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles

    A. P. Lyubartsev;A. A. Martsinovski;S. V. Shevkunov;P. N. Vorontsov‐Velyaminov

  • Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach.

    Alexander P. Lyubartsev;Aatto Laaksonen

  • The inhomogeneous structure of water at ambient conditions

    C Huang;K T Wikfeldt;T Tokushima;D Nordlund

  • Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids.

    Joakim P. M. Jämbeck;Alexander P. Lyubartsev

  • M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixtures

    Alexander P. Lyubartsev;Aatto Laaksonen

  • An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes.

    Joakim P. M. Jämbeck;Alexander P. Lyubartsev

  • Concentration Effects in Aqueous NaCl Solutions. A Molecular Dynamics Simulation

    Alexander P. Lyubartsev and;Aatto Laaksonen

  • Another Piece of the Membrane Puzzle: Extending Slipids Further.

    Joakim P. M. Jämbeck;Alexander P. Lyubartsev

  • Hydration of Li+ ion. An ab initio molecular dynamics simulation

    A. P. Lyubartsev;K. Laasonen;A. Laaksonen

  • Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixture

    Aleksey Vishnyakov;and Alexander P. Lyubartsev;Aatto Laaksonen

  • Semiconducting Piezoelectric Heterostructures for Piezo- and Piezophotocatalysis

    Unknown

  • Theoretical Approximations to X-Ray Absorption Spectroscopy of Liquid Water and Ice

    Mikael Leetmaa;Mathias Ljungberg;Alexander Lyubartsev;Anders Nilsson;Anders Nilsson

  • Multiscale modeling of lipids and lipid bilayers

    Alexander P. Lyubartsev

  • Systematic coarse-graining of molecular models by the Newton inversion method.

    Alexander Lyubartsev;Alexander Mirzoev;Li Jun Chen;Aatto Laaksonen

  • New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures

    Alexei M. Nikitin;Alexander P. Lyubartsev

  • Recent development in computer simulations of lipid bilayers

    Alexander P. Lyubartsev;Alexander L. Rabinovich

  • OSMOTIC AND ACTIVITY COEFFICIENTS FROM EFFECTIVE POTENTIALS FOR HYDRATED IONS

    Alexander P. Lyubartsev;Aatto Laaksonen

  • Monte Carlo Simulation Study of Ion Distribution and Osmotic Pressure in Hexagonally Oriented DNA

    Alexander P. Lyubartsev;Lars Nordenskioeld

  • Competitive binding of Mg2+, Ca2+, Na+, and K+ ions to DNA in oriented DNA fibers: experimental and Monte Carlo simulation results.

    Nikolay Korolev;Alexander P. Lyubartsev;Allan Rupprecht;Lars Nordenskiöld

  • On the competition between water, sodium ions, and spermine in binding to DNA: a molecular dynamics computer simulation study.

    Nikolay Korolev;Alexander P. Lyubartsev;Aatto Laaksonen;Lars Nordenskiöld

  • A molecular dynamics investigation of the influence of hydration and temperature on structural and dynamical properties of a dimyristoylphosphatidylcholine bilayer.

    Carl-Johan Högberg;Alexander P Lyubartsev

Frequent Co-Authors

Aatto Laaksonen
Aatto Laaksonen Stockholm University
Nick Quirke
Nick Quirke Imperial College London
Anders Nilsson
Anders Nilsson Stockholm University
Lars G. M. Pettersson
Lars G. M. Pettersson Stockholm University
Johannes Beckers
Johannes Beckers Technical University of Munich
Martin Irmler
Martin Irmler University of Lausanne
Ulla Vogel
Ulla Vogel Technical University of Denmark
Olivier Joubert
Olivier Joubert University of Nantes
Paul A. Janmey
Paul A. Janmey University of Pennsylvania
Leif A. Eriksson
Leif A. Eriksson University of Gothenburg

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