Integrated Open Access Materials Modelling Innovation Platform for Europe

Projektinformationen

OpenModel

ID Finanzhilfevereinbarung: 953167

DOI

10.3030/953167

Projekt abgeschlossen

EK-Unterschriftsdatum 24 November 2020

Startdatum 1 Februar 2021

Enddatum 31 Januar 2025

Finanziert unter

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

Gesamtkosten

€ 5 194 218,75

EU-Beitrag

€ 5 194 218,75

Koordiniert durch

FRAUNHOFER GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG EV
Germany

CORDIS bietet Links zu öffentlichen Ergebnissen und Veröffentlichungen von HORIZONT-Projekten.

Links zu Ergebnissen und Veröffentlichungen von RP7-Projekten sowie Links zu einigen Typen spezifischer Ergebnisse wie Datensätzen und Software werden dynamisch von OpenAIRE abgerufen.

Leistungen

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]

Veröffentlichungen

Peer reviewed articles (11)

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

Autoren: Mertah, Oumaima; Gómez-Avilés, Almudena; Slassi, Amine; Kherbeche, Abdelhak; Belver, Carolina; Bedia, Jorge
Veröffentlicht in: Catalysis Communications, Vol 175, Iss , Pp 106611- (2023), 2023, ISSN 0020-0255
Herausgeber: 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

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

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

Autoren: Tavanti, Francesco; Calzolari, Arrigo
Veröffentlicht in: Acta Materialia, 2024, ISSN 0020-0255
Herausgeber: 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

Autoren: 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,
Veröffentlicht in: Computational and Structural Biotechnology Journal, Ausgabe 25, 2024, Seite(n) 256-268, ISSN 2001-0370
Herausgeber: Elsevier
DOI: 10.1016/j.csbj.2024.10.018

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

Autoren: Slassi, Amine; Gali, Adam; Cornil, Jérôme; Pershin, Anton
Veröffentlicht in: ACS Applied Electronic Materials, 2023, ISSN 0002-7863
Herausgeber: American Chemical Society
DOI: 10.1021/acsaelm.2c01718

Property design of extruded magnesium-gadolinium alloys through machine learning

Autoren: Wiese, Bjorn; Berger, Sven; Bohlen, Jan; Nienaber, Maria; Hoche, Daniel
Veröffentlicht in: Materials Today Communications, 2023, ISSN 0016-2361
Herausgeber: Elsevier BV
DOI: 10.1016/j.mtcomm.2023.106566

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

Autoren: Slassi, Amine; Medonjio, Linda-Sheila; Padovani, Andrea; Tavanti, Francesco; He, Xu; Clima, Sergiu; Garbin, Daniele; Kaczer, Ben; Larcher, Luca; Ordejon, Pablo; Calzolari, Arrigo
Veröffentlicht in: Advanced Electronic Materials, 2023, ISSN 2199-160X
Herausgeber: 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

Autoren: El Jaouhari, Abdelhadi; Slassi, Amine; Zhang, Xihuan; Pershin, Anton; Ahsaine, Hassan Ait; Li, Chunyue; Lin, Yuanhua
Veröffentlicht in: International Journal Association for Hydrogen Energy, 2023, Seite(n) 21723-21734, ISSN 0020-0255
Herausgeber: Elsevier BV
DOI: 10.1016/j.ijhydene.2023.02.112

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

Autoren: Slassi, Amine
Veröffentlicht in: RCS Advances, 2022, ISSN 2046-2069
Herausgeber: Royal Society of Chemistry
DOI: 10.1039/D2RA00847E

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

Autoren: Tavanti, Francesco; Calzolari, Arrigo
Veröffentlicht in: ACS Omega, 2022, ISSN 2470-1343
Herausgeber: American Chemical Society
DOI: 10.1021/acsomega.2c01359

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

Autoren: Al Jawarneh, Isam Mashhour; Foschini, Luca; Bellavista, Paolo
Veröffentlicht in: Future Internet, 2023, ISSN 2078-2489
Herausgeber: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/fi15080263

Other (4)

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

Autoren: Bleken, Francesca Lønstad; Brigadoi, Michele; Calvio, Alessandro; Cantrill, Vikki; Friis, Jesper; Goldbeck, Gerhard; Roscioni, Otello Maria
Veröffentlicht in: 2024
Herausgeber: Zenodo
DOI: 10.5281/zenodo.14513576

Position Paper: Open Innovation in Horizon Europe

Autoren: Natalia Konchakova; Peter Klein; Elefterios Lidorikis; Argiris Laskarakis; Welchy Leite Cavalcanti; Jesper Friis
Veröffentlicht in: 2022
Herausgeber: Zenodo
DOI: 10.5281/zenodo.5848552

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

Autoren: Del Nostro, Pierluigi; Friis, Jesper; Ghedini, Emanuele; Goldbeck, Gerhard; Toti, Daniele; Zaccarini, Francesco Antonio
Veröffentlicht in: 2024
Herausgeber: CEUR Workshop Proceedings
DOI: 10.5281/zenodo.13983816

Streamlining simulation workflow for composites

Autoren: Anna Matveeva, Oxana Shishkina, Stijn Donders, Laszlo Farkas, Siemens Digital Industries Software João Vieira, Eduardo Marques, Nuno Silvestre, Instituto Superior Técnico, University of Lisbon
Veröffentlicht in: white paper, 2023
Herausgeber: white paper

Book chapters (1)

Materials science and ontologies

Autoren: Jesper Friis, Gerhard Goldbeck, Sylvain Gouttebroze, Francesca Lønstad Bleken, Emanuele Ghedini
Veröffentlicht in: Digitalization and Sustainable Manufacturing, 2024, Seite(n) 117-135
Herausgeber: Routledge
DOI: 10.4324/9781032693415-9