Integrated Open Access Materials Modelling Innovation Platform for Europe

Livrables

D71 Report and agreements on HPC platform cooperation EPFL R PU M12 Task 71

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]

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.

Establishment of EAB

D83 Establishment of EAB FRAUNHOFER R PU M2 Task 81

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]

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]

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]

First Demonstration of OpenModel OIP

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

Publications

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

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

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

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