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Materials Modelling Marketplace for Increased Industrial Innovation

Periodic Reporting for period 3 - MarketPlace (Materials Modelling Marketplace for Increased Industrial Innovation)

Reporting period: 2021-01-01 to 2021-12-31

The MarketPlace consortium utilises state of the art information technologies to build an open web-based integrated Materials Modelling and Collaboration platform that acts as one-stop-shop and open Marketplace for providing all determining components that need to be interwoven for successful and accelerated deployment of materials modelling in industry. This includes linking various activities and databases on models, information on simulation tools, communities, expertise exchange, course and training materials, lectures, seminars and tutorials. The proposed MarketPlace will be a central-hub for all materials modelling related activities in Europe and provide tangible tools to connect disparate modelling, translators, and manufacturing communities to provide a vibrant collaboration web-based tool for the advancement of materials modelling in European manufacturing industry. The developed platform will include mechanisms for the integration of interoperable set of advanced materials model workflows for coupling and linking of various discrete (electronic, atomistic, mesoscopic) and continuum models. This will be achieved by developing open and standard post and pre-processing methods that allow complex flow of information from one model to another for both strongly and loosely coupled systems. The Marketplace platform will include access to concerted set of federated databases of materials models, materials data and provide for access to experimental characterisation and stimulate the development of interface wrappers and open simulation platforms. The MarketPlace consortium aims to strengthen the competitiveness and lower the innovation barrier for European industry for product development and process design and optimization using materials modelling.
The following work was carried out in the reporting period from M36 to M48:
1. Complete the main ontology development reported in D1.4. Maintenance as well as adaptions are still needed and hence the task is still ongoing. This is due to the complexity of the ontology development as well as for functionality reasons and maintenance. Moreover, also new ontologies for workflows and procedures has been developed.
2. Further improvements of the core platform including the core functionalities of the platform were carried out. This includes, global search and Single Sign-on architecture, the interoperability tools, the knowledge and translations service, as well the further inte-gration of databases.
3. The knowledge service components and incorporation of an ontology based materials relation database was improved.
4. An online translation mechanism to serve small and medium enterprises (SMEs) find solutions to their problems and testing this service was developed.
5. Dissemination of the result to a broader community was achieved by giving overview lectures and lectures about specific topics. The first MarketPlace newsletter was released. The collaboration with other projects like EOSC-Pillar and OntoCommons were enhanced.
6. An evaluation of the collected MarketPlace tutorials and educational materials was achieved.
7. In RP 3 strong conceptual work on the realization of a legal body for MarketPlace operations by using the Horizon Booster program was realized. The business model and by initiating a structured process to identify the core team of partners interested on the legal entity was successfully improved. To establish the legal entity, a roadmap is provided in D6.8.
8. An incorporation of the App’s of the satellite projects to the MarketPlace like INTERSECT, ReaxPro, SimDome, Apache and others as well as collaboration with EOSC-Pillar were supported.
9. The implementation of initial use cases on the MarketPlace by using the platform technique: (i) Translation of the new use cases 5 and 6, (ii) The developed of workflows for the use cases are more and more integrated in the platform by using the MarketPlace API, and (iii) Improving the capabilities of the data curation services

The main achievements of the period M36 to M48 can be summarised as follows:
1. The main platform design document D1.3 was finalized.
2. Main platform development and platform release: The Marketplace platform has been further developed. The current status is available on the staging server. Major new features, which are being worked on are: (i) Global search (D4.5)
(ii) Single Sign-On Service (D4.6) and (iii) finalization of the collaboration infrastructure (D4.4).
3. The following interoperability tools and integrated platform developments and adap-tions were achived in RP 3: (i) The MarketPlace API has been developed as a central element to ensure in-teroperability based on a maturity model: i.e. definition of app integration levels to improve clarity on the achieved and desired degree of application integration to the MarketPlace platform. (ii) A continuous development of the Open Simulation Platforms (OSP) like OSP-core, AiiDAlab, and SimphonyRemote as well as corresponding wrappers and simulation took place in RP 3.
4. Knowledge and translation services: (i)The knowledge service is deeply integrated into the MarketPlace platform and is ready to be tested by users. One new feature of the knowledge service, the continuum and mesoscopic materials relations materials relation database as well as an external repository (i.e. OpenKIM) was incorporated. (ii)The translation service is available currently as an external app and tested.
5. Further integration of databases into the MarketPlace has been realized: (i) Implementation of the dataSource API for additional data repositories, (ii) Improved documentation and demonstration of the dataSource API developed by GRANTA as well the mapping of the dataSource API to MarketPlace appli-cation capabilities, and (iii) Implementation of the OPTIMADE gateway application.
6. The ontologies development for the MarketPlace management and the technical appli-cations were finalized in D1.4.
7. Finalizing the important deliverable D6.8 “Legal Entity” in order to enable a sustainable operation of the MarketPlace
The MarketPlace platform allows the exploitation of existing software via advice on modelling, education of companies, and the stimulation of the provision of translation services especially for SMEs as well as the combination of software tools, multiscale simulations, and/or process chain simulations. The results generated in the 3rd reporting period includes:
1. The knowledge service by means of its powerful ontology based design as well as translation service including the networking capabilities on the basis of matchmaking algorithm.
2. The capability to register 3rd party software on the MarketPlace platform in order to overcome the problem of monolithic solutions.
3. The developed interoperability tools for semantic and syntactic interoperable infor-mation exchange and workflow management to allow seamless integration of simula-tion tools into simulation workflows: i.e. configuration and provision of simulation work-flows drawing on multiple tools.
4. The integrated simulation services like SimPhoNy remote for deploying software that be instantiated and executed remotely as well as AiidaLab for workflows,
5. The created access to database services via database gateway and corresponding front-end client to allow the exploitation of material data as well as related information,
MarketPlace Logo
The vision of the MarketPlace as being implemented in the project