Berlin 2024 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 32: Poster: Active Matter, Soft Matter, Fluids

DY 32.6: Poster

Mittwoch, 20. März 2024, 15:00–18:00, Poster C

AMEP: Active Matter Evaluation Package — •Kai Luca Spanheimer, Lukas Hecht, Kay-Robert Dormann, Aritra Mukhopadhyay, Mahdieh Ebrahimi, Suvendu Mandal, and Benno Liebchen — Institut für Physik kondensierter Materie, Technische Universität Darmstadt, Hochschulstr. 8, D-64289 Darmstadt, Germany

The Active Matter Evaluation Package (AMEP) is a Python library for analysing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets based on the HDF5 data format. Main features are various methods for calculating observables, visualising results, and analysing simulation data of molecular dynamics simulations, Brownian-dynamics simulations, and continuum simulations. The methods are developed for analysis of active matter systems but are applicable to passive systems as well. AMEP is written in pure Python and leverages powerful libraries such as NumPy, SciPy, Matplotlib, and scikit-image. Computationally expensive methods are parallelised and optimised to run efficiently on workstations, laptops, and high-performance computing architectures. AMEP provides the first unified framework for analysing results of both particle-based and continuum simulations. This allows users to easily analyse their data of simulations that combine particle-based and continuum techniques, e.g. as used to study the motion of bacteria in chemical fields or modelling particle motion in a flow field.

Keywords: Simulation analysis; Molecular Dynamics; Brownian Dynamics; Continuum simulations; AMEP