Integrated Open Access Materials Modelling Innovation Platform for Europe

Informations projet

OpenModel

N° de convention de subvention: 953167

DOI

10.3030/953167

Projet clôturé

Date de signature de la CE 24 Novembre 2020

Date de début 1 Février 2021

Date de fin 31 Janvier 2025

Financé au titre de

• INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Advanced materials

Coût total

€ 5 194 218,75

Contribution de l’UE

€ 5 194 218,75

Coordonné par

FRAUNHOFER GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG EV
Germany

CORDIS fournit des liens vers les livrables publics et les publications des projets HORIZON.

Les liens vers les livrables et les publications des projets du 7e PC, ainsi que les liens vers certains types de résultats spécifiques tels que les jeux de données et les logiciels, sont récupérés dynamiquement sur OpenAIRE .

Livrables

Demonstrators, pilots, prototypes (2)

Second Demonstration of OpenModel OIP

D5.6: Second Demonstration of OpenModel OIP (AMAT, DEM, PU, M42) [Task 5.5]

First Demonstration of OpenModel OIP

D5.5: First Demonstration of OpenModel OIP (AMAT, DEM, PU, M25) [Task 5.5]

Other (12)

OntoFlow First release

D4.3: OntoFlow First release (UNIBO, OTHER, PU, M38) [Task 4.1]

MCO/BDSS services with workflow integration

D4.8: MCO/BDSS services with workflow integration (CMCL, OTHER, PU, 38 M) [Task 4.3]

WrapperSDK

D3.1: WrapperSDK (SINTEF, OTHER, PU, M17)[Task 3.1] - OpenModel CUDS and wrapper software development kit (SDK).

OntoFlow MVP deployment with initial MCO

D4.2: OntoFlow MVP deployment with initial MCO (UNIBO, OTHER, PU, M24) [Task 4.1]

Database Wrappers -OpenModelDS

D3.5: Database Wrappers -OpenModelDS (EPFL, OTHER, PU, M30) [Task 3.4] - Wrappers and plugins to user databases and dataspaces.

Simulation Pre/Post-Processing Wrappers

D3.4: Simulation Pre/Post-Processing Wrappers (DCS, OTHER, PU, M29) [T3.3] - Wrappers for visualisation, pre and post processing including set up and analysis of simulations.

Creation of a validation and benchmarking database

D4.9 Creation of a validation and benchmarking database (FRAUNHOFER, OTHER, PU, M24) [Task 4.4]

ExecFlow deployment based on vanilla AiiDA integration of CUDS

D4.4: ExecFlow deployment based on vanilla AiiDA integration of CUDS (EPFL, OTHER, PU, M13) [Task 4.2]

CUDS classes and API

D2.4: CUDS classes and API (FRAUNHOFER, OTHER, PU, M24) [Task 2.3]

ExecFlow tested and ready for pro

D4.6: ExecFlow tested and ready for production (EPFL, OTHER, PU, M42) [Task 4.2]

Demonstration of ExecFlow for at least one full workflow

D4.5: Demonstration of ExecFlow for at least one full workflow (EPFL, OTHER, PU, M24) [Task 4.2]

Basic object based MCO with preselected functions

D4.7: Basic object based MCO with preselected functions. (CMCL, OTHER, PU, 15M) [Task 4.3]

Documents, reports (11)

Agreements on HPC platform cooperation

D7.1: Report and agreements on HPC platform cooperation (EPFL, R, PU, M12) [Task 7.1]

Integration of OpenModel services on MMMP

D7.6: Report on the integration of OpenModel services on MMMP (FRAUNHOFER, R, PU, M36) [Task 7.5]

Preliminary Use Cases Execution and Gap Analysis Report

D5.3: Preliminary Use Cases Execution and Gap Analysis Report (SISW, R, PU, M27) [Task 5.3]

Collaborative demonstration

D7.5: Report on execution of a collaborative demonstration (HZG, R, PU, M45) [Task 7.4]

EMMO Middle level ontology

D1.2: EMMO Middle level ontology (UNIBO, R, PU, M24) [Task 1.2] - Report and EMMO-OWL branches with documentation (automatically generated through the development stack in Task 2.1 and published on https://emmo.info) for the middle level and perspective upper level support.

White Paper: Operationalising Materials Modelling Workflows in industrial R&D - a benefits analysis

D6.5: White Paper: Operationalising Materials Modelling Workflows in industrial R&D - a benefits analysis. (GCL, R, PU, M18, M45) [Task 6.4]

OpenModel reference Architecture

D2.3: OpenModel reference Architecture (SINTEF, R, PU, M10 first version, M40)[Task 2.2]

Establishment of EAB

D8.3: Establishment of EAB (FRAUNHOFER, R, PU, M2) [Task 8.1]

Specifications for common interoperability

D7.4: Report on activities regarding specifications for common interoperability (UNIBO, R, PU, M18) [Task 7.3]

Cooperation and networking activities

D7.3: Report on cooperation and networking activities (FRAUNHOFER, R, PU, M24) [Task 7.2]

Practical solutions for connecting MarketPlaces to HPC

D7.2: Practical solutions for connecting MarketPlaces to HPC (EPFL, R, PU, M32) [Task 7.1]

Publications

Peer reviewed articles (11)

Photocatalytic degradation of sulfamethoxazole with Co-CuS@TiO2 heterostructures under solar light irradiation

Auteurs: Mertah, Oumaima; Gómez-Avilés, Almudena; Slassi, Amine; Kherbeche, Abdelhak; Belver, Carolina; Bedia, Jorge
Publié dans: Catalysis Communications, Vol 175, Iss , Pp 106611- (2023), 2023, ISSN 0020-0255
Éditeur: Elsevier BV
DOI: 10.1016/j.catcom.2023.106611

The influence of alcohol, carbonate and polyethers as oxygenated fuels on the soot characteristics from a CI engine

Auteurs: Tan, Yong Ren; Zhu, Qiren; Zong, Yichen; Lai, Jiawei; Salamanca, Maurin; Akroyd, Jethro; Yang, Wenming; Kraft, Markus
Publié dans: Fuel, 2023, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.fuel.2022.127296

Concurring effect of doping and composition on the thermodynamic properties of amorphous GexSe1-x alloys

Auteurs: Tavanti, Francesco; Calzolari, Arrigo
Publié dans: Acta Materialia, 2024, ISSN 0020-0255
Éditeur: Elsevier BV
DOI: 10.1016/j.actamat.2024.119676

Easy-MODA: Simplifying standardised registration of scientific simulation workflows through MODA template guidelines powered by the Enalos Cloud Platform

Auteurs: Panagiotis D. Kolokathis, Nikolaos K. Sidiropoulos, Dimitrios Zouraris, Dimitra-Danai Varsou, Dimitris G. Mintis, Andreas Tsoumanis, Francesco Dondero, Thomas E. Exner, Haralambos Sarimveis, Evgenia Chaideftou, Martin Paparella, Fotini Nikiforou, Achilleas Karakoltzidis, Spyros Karakitsios, Dimosthenis Sarigiannis, Jesper Friis, Gerhard Goldbeck, David A. Winkler, Willie Peijnenburg, Angela Serra,
Publié dans: Computational and Structural Biotechnology Journal, Numéro 25, 2024, Page(s) 256-268, ISSN 2001-0370
Éditeur: Elsevier
DOI: 10.1016/j.csbj.2024.10.018

Non-covalent Functionalization of Pristine and Defective WSe2 by Electron Donor and Acceptor Molecules

Auteurs: Slassi, Amine; Gali, Adam; Cornil, Jérôme; Pershin, Anton
Publié dans: ACS Applied Electronic Materials, 2023, ISSN 0002-7863
Éditeur: American Chemical Society
DOI: 10.1021/acsaelm.2c01718

Property design of extruded magnesium-gadolinium alloys through machine learning

Auteurs: Wiese, Bjorn; Berger, Sven; Bohlen, Jan; Nienaber, Maria; Hoche, Daniel
Publié dans: Materials Today Communications, 2023, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.mtcomm.2023.106566

Device-to-materials pathway for electron traps detection in amorphous GeSe-based selectors

Auteurs: Slassi, Amine; Medonjio, Linda-Sheila; Padovani, Andrea; Tavanti, Francesco; He, Xu; Clima, Sergiu; Garbin, Daniele; Kaczer, Ben; Larcher, Luca; Ordejon, Pablo; Calzolari, Arrigo
Publié dans: Advanced Electronic Materials, 2023, ISSN 2199-160X
Éditeur: Wiley-VCH GmbH
DOI: 10.1002/aelm.202201224

High electrochemical stability and low-agglomeration of defective Co3O4 nanoparticles supported on N-doped graphitic carbon nano-spheres for oxygen evolution reaction

Auteurs: El Jaouhari, Abdelhadi; Slassi, Amine; Zhang, Xihuan; Pershin, Anton; Ahsaine, Hassan Ait; Li, Chunyue; Lin, Yuanhua
Publié dans: International Journal Association for Hydrogen Energy, 2023, Page(s) 21723-21734, ISSN 0020-0255
Éditeur: Elsevier BV
DOI: 10.1016/j.ijhydene.2023.02.112

Band offset engineering at C2N/MSe2 (M = Mo, W) interfaces

Auteurs: Slassi, Amine
Publié dans: RCS Advances, 2022, ISSN 2046-2069
Éditeur: Royal Society of Chemistry
DOI: 10.1039/D2RA00847E

Multi-technique Approach to Unravel the (Dis)order in Amorphous Materials

Auteurs: Tavanti, Francesco; Calzolari, Arrigo
Publié dans: ACS Omega, 2022, ISSN 2470-1343
Éditeur: American Chemical Society
DOI: 10.1021/acsomega.2c01359

Efficient Integration of Heterogeneous Mobility-Pollution Big Data for Joint Analytics at Scale with QoS Guarantees

Auteurs: Al Jawarneh, Isam Mashhour; Foschini, Luca; Bellavista, Paolo
Publié dans: Future Internet, 2023, ISSN 2078-2489
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/fi15080263

Other (4)

Operationalising materials modelling workflows in industrial R&D – a benefits analysis

Auteurs: Bleken, Francesca Lønstad; Brigadoi, Michele; Calvio, Alessandro; Cantrill, Vikki; Friis, Jesper; Goldbeck, Gerhard; Roscioni, Otello Maria
Publié dans: 2024
Éditeur: Zenodo
DOI: 10.5281/zenodo.14513576

Position Paper: Open Innovation in Horizon Europe

Auteurs: Natalia Konchakova; Peter Klein; Elefterios Lidorikis; Argiris Laskarakis; Welchy Leite Cavalcanti; Jesper Friis
Publié dans: 2022
Éditeur: Zenodo
DOI: 10.5281/zenodo.5848552

Top level ontologies: desirable characteristics in the context of materials science

Auteurs: Del Nostro, Pierluigi; Friis, Jesper; Ghedini, Emanuele; Goldbeck, Gerhard; Toti, Daniele; Zaccarini, Francesco Antonio
Publié dans: 2024
Éditeur: CEUR Workshop Proceedings
DOI: 10.5281/zenodo.13983816

Streamlining simulation workflow for composites

Auteurs: Anna Matveeva, Oxana Shishkina, Stijn Donders, Laszlo Farkas, Siemens Digital Industries Software João Vieira, Eduardo Marques, Nuno Silvestre, Instituto Superior Técnico, University of Lisbon
Publié dans: white paper, 2023
Éditeur: white paper

Book chapters (1)

Materials science and ontologies

Auteurs: Jesper Friis, Gerhard Goldbeck, Sylvain Gouttebroze, Francesca Lønstad Bleken, Emanuele Ghedini
Publié dans: Digitalization and Sustainable Manufacturing, 2024, Page(s) 117-135
Éditeur: Routledge
DOI: 10.4324/9781032693415-9