Simulation codes and data for "Learning Hydro-Phoretic Interactions in Active Matter"

In the quest to understand large-scale collective behavior in active matter, the complexity of hydrodynamic and phoretic interactions remains a fundamental challenge. To date, most works either focus on minimal models that do not (fully) account for these interactions, or explore relatively small systems. The present work develops a generic method that combines high-fidelity simulations with symmetry-preserving descriptors and neural networks to predict hydro-phoretic interactions directly from particle coordinates (effective interactions). This method enables, for the first time, self-contained particle-only simulations and theories with full hydro-phoretic pair interactions. Here, this dataset contains the data and code associated with the research project “Learning Hydro-Phoretic Interactions in Active Matter”. It includes raw figure data, scripts for generating the figures, and training/testing datasets for machine learning models that predict velocity and angular velocity in active colloidal systems. The dataset supports a machine learning-based framework for learning hydro-phoretic interactions from high-fidelity simulations.

Identifier
Source https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/5110
Metadata Access https://tudatalib.ulb.tu-darmstadt.de/server/oai/openairedata?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:tudatalib.ulb.tu-darmstadt.de:tudatalib/5110
Provenance
Creator Bera Palash; Mukhopadhyay, Aritra K. ORCID logo; Liebchen, Benno ORCID logo
Publisher Technische Universität Darmstadt
Contributor Deutsche Forschungsgemeinschaft; Technische Universität Darmstadt
Publication Year 2026
Funding Reference Deutsche Forschungsgemeinschaft info:eu-repo/grantAgreement/DFG/TRR146/TRR 146 Anschubfinan
Rights 3-Clause BSD License (NewBSD); info:eu-repo/semantics/openAccess; https://opensource.org/licenses/BSD-3-Clause
OpenAccess true
Contact https://tudatalib.ulb.tu-darmstadt.de/docs/en/kontakt/
Representation
Language English
Resource Type Dataset
Format application/zip
Size 475.58 MB
Version 1
Discipline Other