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Manuscript deadline
01 February 2021

Cover image - Molecular Simulation

Molecular Simulation

Special Issue Editor(s)

Pal Jedlovszky, Eszterházy Károly University
[email protected]

Marcello Sega, Helmholtz Institute Erlangen-Nürnberg
[email protected]

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Advances in Computational Studies of Interfacial Systems

From wettability, spreading and adhesion, to adsorption, diffusion and reaction, the physics and chemistry happening at surfaces are fascinatingly rich - but also complex. While navigating the depths of interfaces, one encounters regions not charted by experiments or theories. Numerical approaches, at the molecular scale or in the continuum, are often able to fill this gap, although strong inhomogeneities and the overlap of multiple characteristic length scales (molecular, electrostatic, capillary) pose numerous challenges. In the rapidly evolving landscape of numerical methods for interfacial systems, this issue aims at providing a snapshot of current advances in computational approaches (and their applications) in the areas of statistical mechanics of fluid/fluid and solid/fluid interfaces, phase equilibria and phase transitions, biological interfaces, gas adsorption, capillary phenomena, electrochemistry, wetting, and reactions at interfaces.

Looking to Publish your Research?

We aim to make publishing with Taylor & Francis a rewarding experience for all our authors. Please visit our Author Services website for more information and guidance, and do contact us if there is anything we can help with!

Submission Instructions

  • When submitting your article, please select the Special Issue on "Advances in Computational Studies of Interfacial Systems"
  • Please submit your article in the usual format required by Molecular Simulation (see guidelines for authors)
  • Both original research articles and review papers will be considered
  • All submissions will be subject to peer-review at the usual high standards of Molecular Simulation
  • The submission deadline is 1st February 2021
  • We expect papers to be published during the first half of 2021.

Instructions for AuthorsSubmit an Article