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  • Open Access

MesoMem: A mesoscale membrane model based on an additive potential

Pietro Sillano

Siewert J. Marrink

Timon Idema*

  • Molecular Dynamics Group, Groningen Institute of Biomolecular Sciences and Biotechnology, University of Groningen, Groningen, The Netherlands

  • *Contact author: t.idema@tudelft.nl
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Phys. Rev. E 114, 034412 – Published 28 September, 2026

DOI: https://doi.org/10.1103/4dhv-8xd7

This article was published on 28 September, 2026. Please update your links.

Abstract

Bridging the gap between atomistic detail and continuum mechanics is a central challenge in modeling biological membranes, particularly for mesoscopic phenomena spanning large length and time scales. In this work, we introduce a new, solvent-free, one-particle-thick, coarse-grained model for lipid bilayers, governed by an additive potential. Our approach treats orientational elasticity through distinct additive energy terms for tilt and splay, offering an unbiased potential form. The model is implemented in the lammps molecular-dynamics engine. Our simulations show spontaneous self-assembly of lamellar structures and stable vesicles from disordered states. We map the dynamical phase diagram of the system, identifying distinct gel-like, fluid, and gas regimes, controlled by temperature and the steepness of the isotropic attraction. The model accurately reproduces the theoretical 1/q4 fluctuation spectrum for tensionless membranes and exhibits tunable mechanical properties, including biologically relevant bending rigidities. We show how we can include osmotic pressure and spontaneous curvature in our model. Finally, we demonstrate the model's applicability to complex membrane remodeling by simulating the adhesive wrapping of colloidal nanoparticles, recovering the predicted dependency on particle size and adhesion strength.

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Phys. Rev. E 114, 034412– Published 28 September, 2026
  • Received 2 March 2026
  • Accepted 2 September 2026
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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