A flexible framework for efficient simulations of elastic and liquid membranes

Membranes are ubiquitous in the living world. However, many of their physical properties are dominated by nonlinear effects, requiring computational approaches to model. Here we introduce a computational framework - PyMembrane - for simulating liquid and elastic membranes, designed to bridge the gap between accessibility, flexibility, and computational power. Built on a high-performance C++ backend with a user-friendly Python interface, it enables efficient setup, execution, and analysis of complex simulations. By leveraging a modular architecture and optimized data structures for unstructured triangulated meshes, PyMembrane delivers high computational efficiency for large-scale simulations while maintaining flexibility for customization and extension. Its standardized C++ interface ensures seamless integration of new features, including dynamic and out-of-equilibrium phenomena. With comprehensive documentation and ready-to-use templates for common simulation scenarios, PyMembrane enhances membrane modeling, providing a powerful tool for addressing a wide range of problems in physics, materials science, biology, and engineering.

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Publication Details

Journal
npj Computational Materials
Published
2026-07-22
DOI
https://doi.org/10.1038/s41524-026-02236-1
Primary Topic
Nanopore and Nanochannel Transport Studies
Type
article
Field-Weighted Citation Impact
0.00
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article

A flexible framework for efficient simulations of elastic and liquid membranes

Mónica Olvera de la Cruz, Rastko Sknepnek, D. A. Matoz-Fernandez, Siyu Li
npj Computational Materials
Nanopore and Nanochannel Transport Studies
article

A flexible framework for efficient simulations of elastic and liquid membranes

Mónica Olvera de la Cruz, Rastko Sknepnek, D. A. Matoz-Fernandez, Siyu Li
article en

Abstract

Membranes are ubiquitous in the living world. However, many of their physical properties are dominated by nonlinear effects, requiring computational approaches to model. Here we introduce a computational framework - PyMembrane - for simulating liquid and elastic membranes, designed to bridge the gap between accessibility, flexibility, and computational power. Built on a high-performance C++ backend with a user-friendly Python interface, it enables efficient setup, execution, and analysis of complex simulations. By leveraging a modular architecture and optimized data structures for unstructured triangulated meshes, PyMembrane delivers high computational efficiency for large-scale simulations while maintaining flexibility for customization and extension. Its standardized C++ interface ensures seamless integration of new features, including dynamic and out-of-equilibrium phenomena. With comprehensive documentation and ready-to-use templates for common simulation scenarios, PyMembrane enhances membrane modeling, providing a powerful tool for addressing a wide range of problems in physics, materials science, biology, and engineering.

npj Computational Materials
Northwestern University (US), Universidad Complutense de Madrid (ES), University of Dundee (GB)
Openalex Percentile: Top 16%
Nanopore and Nanochannel Transport Studies
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