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CORDIS - Risultati della ricerca dell’UE
CORDIS

Formulations and Computational Engineering

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Workflow Interfaces (si apre in una nuova finestra)

D3.3 - Interfaces to the materials data and modelling tools (M10) and definition of the specific extension points and services related to the database and material modelling tools (M24) (OTHER, PU, Granta, M24; Task 3.3)

BDSS with Workflow Elements (si apre in una nuova finestra)

D3.4 - BDSS framework implementation allowing the integration and management of workflows (M16), User interface (either CLI or GUI) (M17) and mechanisms to execute the workflow (M36) (OTHER, PU, ENT, M36; Task 3.4)

Release of the FORCE BDSS framework (si apre in una nuova finestra)

D1.7: First release of the FORCE BDSS framework with modelling workflows and initial BDSS system (M12) and continuous updates adding more features as they become available.; (OTHER, PU, ENT, M49; Task 1.7)

MCO wrappers (si apre in una nuova finestra)

D4.1- MCO solver wrapper interface definitions (M8) and wrappers (M10) enabling a first instalment of BDSS for one demonstrator based on incomplete objectives but fully integrated cost measure interfaces. Additional solver tuning/adaptation towards the demonstrators needs (M18) and Continuous updates as needed. (Remark: this deliverable strongly correlates to D1.7). (OTHER, PU, ITWM, M51; Task 4.1)

Unstructured Data Acquisition (si apre in una nuova finestra)

D4.6 - Data acquired from one demonstrator for the prototype implementation (M10) and set of tools for extracting information from unstructured data (M24) (OTHER, PU, IBM, M24; Task 4.6)

Cognetive and Surrogate Methods (si apre in una nuova finestra)

D2.8 - Cognitive and surrogate methods (OTHER, PU, IBM, M36; Task 2.8)

BDSS Workshop (si apre in una nuova finestra)

D6.5 - First Workshop: metadata schema and interoperability in BDSS (OTHER, PU, Fraunhofer, month 24)

Final BDSS Deployments (si apre in una nuova finestra)

D5.3 - Deployment of the BDSS on the FORCE cloud and beneficiaries: - Installed Apps at the Industry partner own intranet infrastructure. (M40) and installation procedure of the BDSS platform documented. (M51) (OTHER, CO, Fraunhofer IWM, M51; Task 5.3)

Documentation and tutorials (si apre in una nuova finestra)

D1.8: Release of the documentation and tutorials (M18) and updates (final M42). (OTHER, PU; ENT, M49; Task 1.8);

Workflow Elements (si apre in una nuova finestra)

D3.2 - Workflow elements and connections first release M10 (towards D1.7) and continuous updates to final release at M36 (OTHER, PU, ES, M36; Task 3.2)

Software repository (si apre in una nuova finestra)

D1.5: Software repository and collaboration environment (first version M2, final M30). Continuous updates and maintenance. (OTHER, CO, ENT, M30; Task 1.5)

Interface Wrappers for Cognetive Engine (si apre in una nuova finestra)

D2.7: Wrappers for materials cognitive engine interrogation, first release at M20 and continuous updates thereafter, including a Scheme to use data extracted by cognitive engine to initialize materials modelling (OTHER, PU, IBM, M30; Task 2.7)

Interface Wrappers for Modelling Tools (si apre in una nuova finestra)

D2.5: Interface wrappers for Modelling tools with updated versions (M12, M36). (OTHER, PU, Fraunhofer IWM, M36, Task 2.5)

Interface Wrappers for Dataspaces (si apre in una nuova finestra)

D2.6: Interface wrappers for databases, first release at M10, continuously updated (OTHER, PU, Granta, M30; Task 2.6)

Legacy Knowledge Extraction Tools (si apre in una nuova finestra)

D4.3- Tools for knowledge extraction from legacy cost measure data sources, updated versions as described in task 4.3. (OTHER, PU, ES, M6; Task 4.3)

BDSS Tutorials (si apre in una nuova finestra)

D6.4 - BDSS Tutorials (OTHER, PU, ENT, 15, 40)

Dissemination Tools (si apre in una nuova finestra)

D6.1 - Establishment of dissemination tools (public website, flyer, press release, social media, cloud services) (OTHER, PU, Fraunhofer, month 4)

Metadata schema representation (si apre in una nuova finestra)

D1.6: Metadata schema representation in standard state of the art mark-up language (YAML or JSON), release 1 (M10) and 2 (M30); (OTHER, PU, Fraunhofer IWM, M30; Task 1.6)

Integration of Constrains and IP (si apre in una nuova finestra)

D4.4 - Integration of constraints in prototype (M10), an editor for defining constraints (M20), and integration of cognitive modelling for regulation and IP issues constraining the optimization (M36). (OTHER, PU, Fraunhofre ITWM, M36; Task 4.4)

Extension Points (si apre in una nuova finestra)

D3.6 - Definitions of the extension points and services related to the modeFRONTIER integration (either required by or contributing to), and documentation thereof (M30), reference implementation of third-party software integration M(40) (OTHER, PU, ES, M40; Task 3.6)

Initializers (si apre in una nuova finestra)

D4.5 - Initializers prototype based on Task 4.6 and 4.8 (M12), initializers as interfaces from data and cognitive tools to material modelling workflows (M18), and continuous updates to the interfaces and initialisers thereafter towards final release. (OTHER, PU, Fraunhofre ITWM, M36; Task 4.5)

BDSS cloud services (si apre in una nuova finestra)

D1.9: Initial release of the cluster (M12) and BDSS cloud services (Updated continuously). (OTHER, CO, Fraunhofer IWM, M50; Task 1.9)

KPI Wrappers (si apre in una nuova finestra)

D4.2- KPI wrappers and constraint module fully functional, editors available. First release M18, updated as described in the Task 4.2 towards final release. (OTHER, PU, ITWM, M36; Task 4.2)

FORCE Modelling MODA (si apre in una nuova finestra)

D2.1: FORCE Modelling extended MODA for each of the demonstration applications in WP5.(R, PU, IBM, M3; Task 2.1)

Translators and Sourcing Handling Reports (si apre in una nuova finestra)

D5.2 - Plan and content for the Training of industrial Translators Workshop (M38), report on common issues of handling sourcing (M41) and report on impact measures and success case studies of BDSS (M51). (R, PU, Fraunhofer ITWM, M51; Task 5.2)

Numerical uncertainties (si apre in una nuova finestra)

D2.4: Delivery of a set of tools to evaluate numerical uncertainties within a dataset (M12) including Complete data quality assessment for all data-sources (structured/unstructured) (M30). (R, PU, IBM, M30; Task 2.4)

FORCE framework requirements (si apre in una nuova finestra)

D1.4: FORCE framework requirements for API and metadata release 1 (M8) and 2 (M18). (R, PU, Fraunhofer IWM, M18; Task 1.4)

Materials modelling components Dataspace Requirements (si apre in una nuova finestra)

D2.2: Tested, validated materials modelling components and wrappers for each step of the workflow, for each of the application cases, including pre- and post-processing based on the integrated platform as defined in Task 2.1. Three update versions at M16, M19 and M36 (R, PU, Upat, M36; Task 2.2)

MCO protocols (si apre in una nuova finestra)

D3.5 - Protocols to integrate the MCO meta workflow(M24), and definitions of the extension points and services related to the MCO meta-workflow (M40) (R, PU, Fraunhofer ITWM, M40; Task 3.4)

FORCE MODA Template for C&L and Pre/Post-Processing (si apre in una nuova finestra)

D1.1: FORCE MODA template for coupling and linking including pre- and post-processing, UE and databases. (R, PU, Fraunhofer IWM, M3, Task 1.1)

Workflow Specifications (si apre in una nuova finestra)

D3.1 - Specification of workflow elements and connections first version M6, continuously updated towards final release (M18) (R, PU, ES, M18; Task 3.1)

FORCE MODA template for KPIs (si apre in una nuova finestra)

D1.2: FORCE MODA template (in word and html forms) including support for KPIs (R, PU, Fraunhofer ITWM, M5; Task 1.2)

Dataspace Requirements (si apre in una nuova finestra)

D2.3: Definition of requirements for data spaces in support of BDSS workflows (M6) including prioritised data space features to enable a robust initial data system in support of BDSS (M23) and Gap analysis of outstanding features for delivery beyond the project timeframe (M36). (R, PU, Granta, M36; Task 2.3)

Final BDSS MODA and Translators Report (si apre in una nuova finestra)

D5.1 - Filled extended FORCE MODA for the whole BDSS workflow including KPIs and MCOs and other BDSS elements (M8), initial translation of demonstrators to a multi criterial optimization model and Report on Best Translation Practices (M18) and report on change management and training of Translators (M48) (R, PU, Fraunhofer ITWM, M48; Task 5.1)

FORCE MODA template for whole BDSS (si apre in una nuova finestra)

D1.3: FORCE MODA template (in word and html forms) for the whole BDSS workflow. (R, PU, Fraunhofer ITWM, M12; Task 1.3)

Data Management Plan (si apre in una nuova finestra)

D6.2 - Elaboration of a Data management Plan (ORDP, PU, Fraunhofer, M6, 16, 26, 36, 51)

European Workshop (si apre in una nuova finestra)

D6.7 - European workshop: BDSS Training (OTHER, PU, Unilever, M50)

Pubblicazioni

Two-species models for the rheology of associative polymer solutions: Derivation from nonequilibrium thermodynamics (si apre in una nuova finestra)

Autori: Pavlos S. Stephanou, Ioanna Ch. Tsimouri, Vlasis G. Mavrantzas
Pubblicato in: Journal of Rheology, Numero 64/4, 2020, Pagina/e 1003-1016, ISSN 0148-6055
Editore: Society of Rheology
DOI: 10.1122/8.0000038

Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations (si apre in una nuova finestra)

Autori: Stavros D. Peroukidis, Dimitrios G. Tsalikis, Massimo G. Noro, Ian P. Stott, and Vlasis G. Mavrantzas
Pubblicato in: Journal of Chemical Theory and Computation, 2020, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.0c00229

The impact of molecular simulations in gas-phase manufacture of nanomaterials (si apre in una nuova finestra)

Autori: Vlasis G Mavrantzas, Sotiris E Pratsinis
Pubblicato in: Current Opinion in Chemical Engineering, Numero 23, 2019, Pagina/e 174-183, ISSN 2211-3398
Editore: Elsevier BV
DOI: 10.1016/j.coche.2019.04.006

Pressure- and Temperature-Induced Monoclinic-to-Orthorhombic Phase Transition in Silicalite‑1 (si apre in una nuova finestra)

Autori: N. Lempesis, N. Smatsi, V.G. Mavrantzas and S.E. Pratsinis
Pubblicato in: Journal of Physical Chemistry, 2018, ISSN 1932-7455
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.8b00400

Pragmatic interoperability and translation of industrial engineering problems into modelling and simulation solutions (si apre in una nuova finestra)

Autori: Horsch, Martin Thomas; Chiacchiera, Silvia; Seaton, Michael A.; Todorov, Ilian T.; Schembera, Björn; Klein, Peter; Konchakova, Natalia A.
Pubblicato in: Numero 2, 2020
Editore: Zenodo
DOI: 10.5281/zenodo.3902881

Guideline Business Decision Support Systems (BDSS) for Materials Modelling (si apre in una nuova finestra)

Autori: Dykeman, Donna; Hashibon, Adham; Klein, Peter; Belouettar, Salim
Pubblicato in: Numero 1, 2020
Editore: EMMC
DOI: 10.5281/zenodo.4054009

Translation in Materials Modelling – Process and Progress (si apre in una nuova finestra)

Autori: Klein, Peter; Konchakova, Natalia; Hristova-Bogaerds, Denka G.; Noeske, Michael; Simperler, Alexandra; Goldbeck, Gerhard; Höche, Daniel
Pubblicato in: Numero 1, 2021
Editore: Zenodo
DOI: 10.5281/zenodo.4729918

Pragmatic interoperability and translation of industrial engineering problems into modelling and simulation solutions (si apre in una nuova finestra)

Autori: Horsch, Martin Thomas; Chiacchiera, Silvia; Seaton, Michael A.; Todorov, Ilian T.; Schembera, Björn; Klein, Peter; Konchakova, Natalia A.
Pubblicato in: Numero 1, 2021
Editore: Inprodat
DOI: 10.5281/zenodo.4749106

A Practical Approach to Ontology-Based Data Modelling for Semantic Interoperability (si apre in una nuova finestra)

Autori: T. Hagelien, H. Preisig, N. Abtahi, J. Friis, P. Rønningen, H. Rusche, S. Belouettar, N. Konchakova, P. Klein
Pubblicato in: 14th WCCM-ECCOMAS Congress, 2020
Editore: CIMNE
DOI: 10.23967/wccm-eccomas.2020.035

Mechanical testing ontology for digital-twins: A roadmap based on EMMO

Autori: Morgado, J.F.; Ghedini, E.; Goldbeck, G.; Hashibon, A.; Schmitz, G.J.; Friis, J.; Baas, A.F. de
Pubblicato in: Fraunhofer IWM, Numero 1, 2020
Editore: CEUR Workshop Proceedings

Corpus Conversion Service - A Machine Learning Platform to Ingest Documents at Scale (si apre in una nuova finestra)

Autori: Peter W J Staar, Michele Dolfi, Christoph Auer, Costas Bekas
Pubblicato in: Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining - KDD '18, 2018, Pagina/e 774-782, ISBN 9781-450355520
Editore: ACM Press
DOI: 10.1145/3219819.3219834

Ontologies In Computational Engineering (si apre in una nuova finestra)

Autori: H. Preisig, T. Hatelien, H. Rusche, N. Abtahi, S. Belouettar, P. Klein, N. Konchakova
Pubblicato in: 14th WCCM-ECCOMAS Congress, 2020
Editore: CIMNE
DOI: 10.23967/wccm-eccomas.2020.262

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