Regensburg 2025 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 25: Poster: Active Matter, Soft Matter, Fluids (joint session DY/CPP)
CPP 25.5: Poster
Mittwoch, 19. März 2025, 10:00–12:00, P3
AMEP: Analyzing Active Matter Simulations in Python — Kay-Robert Dormann1, Lukas Hecht1, Kai Luca Spanheimer2, Aritra K. Mukhopadhyay1, Mahdieh Ebrahimi1, Suvendu Mandal1, and •Benno Liebchen1 — 1Institut für Physik kondensierter Materie, Technische Universität Darmstadt, Darmstadt, Germany — 2Institut für Theoretische Physik II, Heinrich-Heine-Universität, Düsseldorf, Germany
The Active Matter Evaluation Package (AMEP)[1] is an easy-to-use Python library for analysing simulation data of particle-based and continuum simulations. It provides a powerful interface for handling complex analysis of large data sets from different simulation software such as LAMMPS, HOOMD-blue, GROMACS and others. A plethora of methods to calculate observables and visualise results make AMEP suitable to calculate complex observables not only for beginners but also for advanced studies of active and soft matter. AMEP is written in pure Python and leverages powerful and well-known libraries such as NumPy, SciPy and Matplotlib. Computationally expensive methods are parallelized to run on laptops and workstations as well as high-performance computing clusters.
The methods range from order parameters, cluster methods, spatial and time correlation functions to thermodynamic properties and coarse-graining methods. More information and examples are available at https://amepproject.de. AMEP can be installed via conda and pip.
[1] L. Hecht et al., arXiv:2404.16533 [cond-mat.soft]
Keywords: Simulation analysis; Python; Molecular Dynamics; Brownian Dynamics; Continuum simulations