ECCOMAS 2024

dtool and dserver: A Flexible Ecosystem for Findable Data with Applications in Solid Mechanics, Molecular Dynamics and Multiscale Simulations

  • Hörmann, Johnnes Laurin (University of Freiburg)
  • Sanner, Antoine (ETH Zürich)
  • Yanes, Luis (private)
  • Vazhappilly, Ashwin (University of Freiburg)
  • Holey, Hannes (Fraunhofer IWM, Freiburg)
  • Pastewka, Lars (University of Freiburg)
  • Hartley, Matthew (European Bioinformatics Institute, Hinxton)
  • Olsson, Tjelvar (John Innes Centre, Norwich)

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Making data FAIR - findable, accessible, interoperable, reproducible - has become the recurring theme behind many research data management efforts. dtool is a lightweight data management tool that packages metadata with immutable data to promote accessibility, interoperability, and reproducibility [1]. Each dataset is self-contained and does not require metadata to be stored in a centralised system. dtool’s lookup server, short dserver, as defined by a REST API, makes dtool datasets findable, hence rendering the dtool ecosystem fit for a FAIR data management world. Its simplicity, modularity, accessibility and standardisation via API distinguish dtool and dserver from other solutions and enable it to serve as a common denominator for cross-disciplinary research data management. The dtool ecosystem bridges the gap between standardisation-free data management by individuals and FAIR platform solutions with rigid metadata requirements. We show how dtool and dserver have been used productively to enable research in solid mechanics [2], multiscale simulations [3], and molecular dynamics simulations [4]. REFERENCES [1] T. S. G. Olsson and M. Hartley, Lightweight Data Management with Dtool, PeerJ 7, e6562 (2019). [2] A. Sanner and L. Pastewka, Crack-Front Model for Adhesion of Soft Elastic Spheres with Chemical Heterogeneity, J. Mech. Phys. Solids 160, 104781 (2022). [3] H. Holey, A. Codrignani, P. Gumbsch, and L. Pastewka, Height-Averaged Navier–Stokes Solver for Hydrodynamic Lubrication, Tribol. Lett. 70, 36 (2022). [4] J. L. Hörmann, C. Liu, Y. Meng, and L. Pastewka, Molecular Simulations of Sliding on SDS Surfactant Films, J. Chem. Phys. 158, (2023).