The Virtual Materials MarketPlace (VIMMP) is a H2020 project to develop a digital marketplace, i.e., a platform to facilitate exchanges between providers and users in the area of materials modelling. Typical goods will include software, workflows, validation data, model parameters, simulation platforms, and services, such as training and translation (from an industrial problem to a modelling solution).
In particular, in the Computational Chemistry Group we are responsible for the work package on Metadata, Interoperability design and Standards, WP1. A major outcome of our work is a set of ontologies (see here for a recent release) that will serve as a semantic basis for the interoperability of internal and external components of the marketplace.
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov, K. Šindelka, M. Lı́sal, B. Andreon, E. Bayro Kaiser, G. Mogni, G. Goldbeck, R. Kunze, G. Summer, A. Fiseni, H. Brüning, P. Schiffels, W. Leite Cavalcanti, Ontologies for the Virtual Materials Marketplace, Künstl. Intell. (2020). [https://doi.org/10.1007/s13218-020-00648-9]
- M. T. Horsch, C. Niethammer, G. Boccardo, P. Carbone, S. Chiacchiera, M. Chiricotto, J. D. Elliott, V. Lobaskin, P. Neumann, P. Schiffels, M. A. Seaton, I. T. Todorov, J. Vrabec and W. L. Cavalcanti, Semantic interoperability and characterization of data provenance in computational molecular engineering, J. Chem. Eng. Data 65, 1313 (2020). [https://pubs.acs.org/doi/abs/10.1021/acs.jced.9b00739]
S. Stephan, M. Horsch, J. Vrabec & H. Hasse, MolMod - an open access database of force fields for molecular simulations of fluids, Molecular Simulation 45(10), 806-814 (2019). [https://doi.org/10.1080/08927022.2019.1601191]
Other selected publications (conference proceedings, technical reports, etc)
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov, D. Toti, G. Goldbeck, Introduction to the VIMMP ontologies, Zenodo (2020). [https://doi.org/10.5281/zenodo.3936796]
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov, B. Schembera, P. Klein, N. A. Konchakova, Pragmatic interoperability and translation of industrial engineering problems into modelling and simulation solutions, Zenodo (2020). [https://doi.org/10.5281/zenodo.3949803]
S. Stephan, M. T. Horsch, J. Vrabec & H. Hasse (2019), Molecular model database of the Boltzmann-Zuse Society for Computational Molecular Engineering, in Elizarov et al. (editors): Data Analytics and Management in Data Intensive Domains, Proceedings of the XXI. International Conference (DAMDID/RCDL 2019): 467-468. Kazan Federal University (ISBN 978-5-00130-214-8).
M. T. Horsch, C. Niethammer, S. Chiacchiera, P. Schiffels, M. A. Seaton, I. T. Todorov, J. Vrabec, P. Neumann & W. L. Cavalcanti (2019), Characterization of data provenance in computational engineering by an ontological representation of simulation workflows, in Elizarov et al. (editors): Data Analytics and Management in Data Intensive Domains, Proceedings of the XXI. International Conference (DAMDID/RCDL 2019): 493-494. Kazan Federal University (ISBN 978-5-00130-214-8).
Project website: https://www.vimmp.eu/
Project members from the CCG: Martin T. Horsch, Silvia Chiacchiera, Michael A. Seaton (WP1 leader), Ilian T. Todorov
Project funding: This
project has received funding from the European Union’s Horizon 2020
research and innovation programme under grant agreement no. 760907.
Project duration: 01.01.2018 - 31.12.2021