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EMMC-CSA SIGNED

European Materials Modelling Council

Total Cost €

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EC-Contrib. €

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Partnership

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Project "EMMC-CSA" data sheet

The following table provides information about the project.

Coordinator
TECHNISCHE UNIVERSITAET WIEN 

Organization address
address: KARLSPLATZ 13
city: WIEN
postcode: 1040
website: www.tuwien.ac.at

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Austria [AT]
 Project website https://emmc.info/
 Total cost 3˙948˙970 €
 EC max contribution 3˙773˙470 € (96%)
 Programme 1. H2020-EU.2.1.3. (INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Advanced materials)
 Code Call H2020-NMBP-CSA-2016
 Funding Scheme CSA
 Starting year 2016
 Duration (year-month-day) from 2016-09-01   to  2019-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    TECHNISCHE UNIVERSITAET WIEN AT (WIEN) coordinator 593˙092.00
2    FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. DE (MUNCHEN) participant 432˙420.00
3    GOLDBECK CONSULTING LIMITED UK (CAMBRIDGE) participant 425˙105.00
4    POLITECNICO DI TORINO IT (TORINO) participant 373˙750.00
5    UPPSALA UNIVERSITET SE (UPPSALA) participant 368˙275.00
6    GRANTA DESIGN LTD UK (CAMBRIDGE) participant 237˙370.00
7    MATERIALS DESIGN SARL FR (MONTROUGE) participant 221˙412.00
8    HELMHOLTZ-ZENTRUM GEESTHACHT ZENTRUM FUR MATERIAL- UND KUSTENFORSCHUNG GMBH DE (GEESTHACHT) participant 201˙250.00
9    STICHTING DUTCH POLYMER INSTITUTE NL (EINDHOVEN) participant 194˙465.00
10    ACCESS e.V. DE (Aachen) participant 158˙266.00
11    SINTEF AS NO (TRONDHEIM) participant 129˙687.00
12    UNIVERSITY OF YORK UK (YORK NORTH YORKSHIRE) participant 105˙000.00
13    STIFTELSEN SINTEF NO (TRONDHEIM) participant 93˙812.00
14    ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA IT (BOLOGNA) participant 85˙000.00
15    DOW BENELUX BV NL (Hoek) participant 72˙250.00
16    QUANTUMWISE A/S DK (Copenhagen) participant 53˙844.00
17    SYNOPSYS DENMARK APS DK (COPENHAGEN V) participant 28˙467.00
18    ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE CH (LAUSANNE) participant 0.00

Map

 Project objective

The aim of the EMMC-CSA is to establish current and forward looking complementary activities necessary to bring the field of materials modelling closer to the demands of manufacturers (both small and large enterprises) in Europe. The ultimate goal is that materials modelling and simulation will become an integral part of product life cycle management in European industry, thereby making a strong contribution to enhance innovation and competitiveness on a global level. Based on intensive efforts in the past two years within the European Materials Modelling Council (EMMC) which included numerous consultation and networking actions with representatives of all stakeholders including Modellers, Software Owners, Translators and Manufacturers in Europe, the EMMC identified and proposed a set of underpinning and enabling actions to increase the industrial exploitation of materials modelling in Europe EMMC-CSA will pursue the following overarching objectives in order to establish and strengthen the underpinning foundations of materials modelling in Europe and bridge the gap between academic innovation and industrial application: 1. Enhance the interaction and collaboration between all stakeholders engaged in different types of materials modelling, including modellers, software owners, translators and manufacturers. 2. Facilitate integrated materials modelling in Europe building on strong and coherent foundations. 3. Coordinate and support actors and mechanisms that enable rapid transfer of materials modelling from academic innovation to the end users and potential beneficiaries in industry. 4. Achieve greater awareness and uptake of materials modelling in industry, in particular SMEs. 5. Elaborate Roadmaps that (i) identify major obstacles to widening the use of materials modelling in European industry and (ii) elaborate strategies to overcome them. This EMMC-CSA stems directly out of the actions of the EMMC and will continue and build upon its existing activities.

 Deliverables

List of deliverables.
White paper on gaps and obstacles in materials modelling -T1.1-T1.5 Documents, reports 2020-02-24 18:09:59
Reference design for generic OSP with database integration - T2.4 Documents, reports 2020-02-24 18:09:59
Roadmap for the development of reliable error estimates for materials models (verification) and guidelines to accomplish a systematic workflow for validation of materials models (validation) - T1.4, T1.5 Documents, reports 2020-02-24 18:09:58
Report on case studies describing the gained experience (obstacles etc.) -T4.4 Documents, reports 2020-02-24 18:09:58
Training material for standards in software development -T5.2 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Report on Horizontal Workshop 2 related to WP4 sessions, T4.1-T4.6 Documents, reports 2020-02-24 18:09:58
White paper: Interoperable Concerted Materials Repositories (v1) -T3.2 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Report on WP5 sessions within Horizontal Workshop 2 Documents, reports 2020-02-24 18:09:59
Minutes on workshop, meeting and event outcome (v3) - T4.3 Documents, reports 2020-02-24 18:09:58
Report on second horizontal workshop Interoperability/OSP sessions and Roadmap contributions – T2.6 Documents, reports 2020-02-24 18:09:59
\"Digested report on focused WP1 + WP4 + WP5 + WP6 workshop on \"\"Industrial impact of materials modelling\"\"-T1.2\" Documents, reports 2020-02-24 18:09:58
Report on adoption in teaching courses -T5.2 Documents, reports 2020-02-24 18:09:58
\"Digested report from focussed workshop on \"\"physics- & data-driven models\"\"- T1.2\" Documents, reports 2020-02-24 18:09:58
Document Materials Modelling Ontology in UML - T2.2 Documents, reports 2020-02-24 18:09:58
Report on WP5 Expert Group Meetings v1 Documents, reports 2020-02-24 18:09:59
White paper: Strategies for companies to engage in materials modelling -T6.3 Websites, patent fillings, videos etc. 2020-02-24 18:09:56
White paper for software licensing and business models -T5.3 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Digested report from expert group meeting on Verification & Validation-T1.4, T1.5 Documents, reports 2020-02-24 18:09:58
Reports on sessions in horizontal EMMC-CSA workshops, (including contribution to EMMC Roadmap (v2) -T6.2 Documents, reports 2020-02-24 18:09:56
White paper: Interoperable Concerted Materials Repositories (v2) -T3.2 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Roadmap for the development of novel & improved materials models beyond existing gaps -T1.2 Documents, reports 2020-02-24 18:09:58
Digested report on WP1 sessions from second Horizontal Workshop- T1.1-T1.5 Documents, reports 2020-02-24 18:09:58
Design and Implementation of metadata schema for syntactic and semantic interoperability - T2.3 Documents, reports 2020-02-24 18:09:58
Updated EMMC Materials Modelling Roadmap (v2) -T7.4 Documents, reports 2020-02-24 18:09:58
Material for training and workshops on software licensing and business models -T5.3 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
EMMC Marketplace online web platform prototype (v2) -T3.6 Websites, patent fillings, videos etc. 2020-02-24 18:09:59
Report on second focused workshop, in particular regarding the design and implementation of metadata schema for syntactic and semantic interoperability and the decision about going forward with Open Standard Simulation Platform reference design– T2.5 Documents, reports 2020-02-24 18:09:58
Update recommendations for the Review of Materials Modelling in particular regarding Open Standard Simulation Platforms – T2.4 Documents, reports 2020-02-24 18:09:58
Digested report from expert group meeting on Coupling & Linking- T1.3 Documents, reports 2020-02-24 18:09:58
Report on business related quality attributes for industry Integration of materials modelling -T6.3 Documents, reports 2020-02-24 18:09:56
White Paper: EMMC Marketplace: a central Materials modelling Hub for Europe (v1) -T3.3 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Update recommendations for the Review of Materials Modelling, in particular regarding the reference architecture for metadata-based semantic interoperability – T2.3 Documents, reports 2020-02-24 18:09:59
Story boards of material modelling -T6.4 Documents, reports 2020-02-24 18:09:57
Roadmap for the development of coupling and linking strategies -T1.3 Documents, reports 2020-02-24 18:09:58
White Paper: EMMC Marketplace: a central Materials modelling (v2) -T3.3 Websites, patent fillings, videos etc. 2020-02-24 18:09:58
Trainer networking platform (open for extension) is available at the EMMC website -T4.6 Websites, patent fillings, videos etc. 2020-02-24 18:09:56
Reports on sessions in horizontal EMMC-CSA workshops, (including contribution to EMMC Roadmap (v1) -T6.2 Documents, reports 2020-02-24 18:09:56
Translators user guide and Code of Conduct -T4.2 Documents, reports 2020-02-24 18:09:56
Update recommendations for the Review of Materials Modelling is based on the stakeholder discussion and recommendations of Metadata Schema and Materials Modelling Ontology for semantic interoperability – T2.2 Documents, reports 2020-02-24 18:09:56
Report on first focused workshop discussion and stakeholder recommendations of Metadata Schema and Materials Modelling Ontology for semantic interoperability – T2.5 Documents, reports 2020-02-24 18:09:56
Minutes on workshop, meeting and event outcome (v2) - T4.3 Documents, reports 2020-02-24 18:09:56
Requirements for industry integration of materials modelling into their business decisions -T6.2 Documents, reports 2020-02-24 18:09:56
White paper for standards of modelling software development -T5.2 Websites, patent fillings, videos etc. 2020-02-24 18:09:56
EMMC Marketplace online web platform prototype (v1) -T3.6 Websites, patent fillings, videos etc. 2020-02-24 18:09:56
Digested reports from expert meeting on the promotion of discrete models in industry and on previous workshops of WP1 (horizontal workshop 1 and first focussed WP1+WP4+WP5 workshop with satellite multiscale meeting)- T1.2 Documents, reports 2020-02-24 18:09:56
Minutes on workshop, meeting and event outcome (v1) - T4.3 Documents, reports 2020-02-24 18:09:56
Updated EMMC Materials Modelling Roadmap (v1) -T7.4 Documents, reports 2020-02-24 18:09:56
Translators blog within the EMMC website -T4.2 Websites, patent fillings, videos etc. 2020-02-24 18:09:56
Report on first horizontal workshop Metadata/Interoperability/ and Roadmap contributions – T2.6 Documents, reports 2020-02-24 18:09:56
Interoperability and Repositories Advisory Group (IRAG) Charter - T 2.1 Documents, reports 2020-02-24 18:09:56

Take a look to the deliverables list in detail:  detailed list of EMMC-CSA deliverables.

 Publications

year authors and title journal last update
List of publications.
2019 Byung-Hyun Kim, Jolla Kullgren, Matthew J. Wolf, Kersti Hermansson, Peter Broqvist
Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation
published pages: , ISSN: 2296-2646, DOI: 10.3389/fchem.2019.00203
Frontiers in Chemistry 7 2020-02-24
2018 Getachew G. Kebede, Pavlin D. Mitev, Wim J. Briels, Kersti Hermansson
Red-shifting and blue-shifting OH groups on metal oxide surfaces – towards a unified picture
published pages: 12678-12687, ISSN: 1463-9076, DOI: 10.1039/c8cp00741a
Physical Chemistry Chemical Physics 20/18 2020-02-24
2019 D. Du, J. Kullgren, K. Hermansson, P. Broqvist
From Ceria Clusters to Nanoparticles: Superoxides and Supercharging
published pages: 1742-1750, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.8b08977
The Journal of Physical Chemistry C 123/3 2020-02-24
2018 Dou Du, Matthew J. Wolf, Kersti Hermansson, Peter Broqvist
Screened hybrid functionals applied to ceria: Effect of Fock exchange
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.97.235203
Physical Review B 97/23 2020-02-24
2019 Goldbeck, Gerhard; Simperler, Alexandra
Business Models and Sustainability for Materials Modelling Software
published pages: , ISSN: , DOI: 10.5281/zenodo.2541723
2020-02-24
2018 Giovanni Barcaro, Luca Sementa, Susanna Monti, Vincenzo Carravetta, Peter Broqvist, Jolla Kullgren, Kersti Hermansson
Dynamical and Structural Characterization of the Adsorption of Fluorinated Alkane Chains onto CeO 2
published pages: 23405-23413, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.8b05554
The Journal of Physical Chemistry C 122/41 2020-02-24
2018 Vanessa Quaranta, Matti Hellström, Jörg Behler, Jolla Kullgren, Pavlin D. Mitev, Kersti Hermansson
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential
published pages: 241720, ISSN: 0021-9606, DOI: 10.1063/1.5012980
The Journal of Chemical Physics 148/24 2020-02-24
2018 B. Böttger, R. Altenfeld, G. Laschet, G. J. Schmitz, B. Stöhr, B. Burbaum
An ICME Process Chain for Diffusion Brazing of Alloy 247
published pages: 70-85, ISSN: 2193-9764, DOI: 10.1007/s40192-018-0111-1
Integrating Materials and Manufacturing Innovation 7/2 2020-02-24
2018 Goldbeck Gerhard; Simperler Alexandra
Report on Workshop on Interoperability in Materials Modelling
published pages: , ISSN: , DOI: 10.5281/zenodo.1240228
1 2020-02-24
2019 Christian Scherl
Türöffner für Innovationen
published pages: 33-35, ISSN: 1862-4154, DOI:
Upgrade 2.19 2020-02-24
2019 Cheng Cheng, Xilin Zhang, Zongxian Yang, Kersti Hermansson
Identification of High‐Performance Single‐Atom MXenes Catalysts for Low‐Temperature CO Oxidation
published pages: 1900006, ISSN: 2513-0390, DOI: 10.1002/adts.201900006
Advanced Theory and Simulations 2/8 2020-02-24
2018 Alexandra Simperler, Emanuele Ghedini, Jesper Friis, Gerhard Goldbeck, Georg Schmitz, Adham Hashibon
European Materials Modelling Ontology (EMMO)
published pages: , ISSN: , DOI:
1 2020-02-24
2019 Gerhard Goldbeck; Alexandra Simperler; Natalia Konchakova; Daniel Höche
A GUIDE TO FIND THE RIGHT BUSINESS MODEL FOR MATERIALS MODELLING SOFTWARE
published pages: , ISSN: , DOI: 10.5281/zenodo.3380362
1 2020-02-24
2019 Alessandro Sassolini, Noemi Colozza, Elena Papa, Kersti Hermansson, Ilaria Cacciotti, Fabiana Arduini
Screen-printed electrode as a cost-effective and miniaturized analytical tool for corrosion monitoring of reinforced concrete
published pages: 69-72, ISSN: 1388-2481, DOI: 10.1016/j.elecom.2018.11.023
Electrochemistry Communications 98 2020-02-24
2018 Getachew G. Kebede, Pavlin D. Mitev, Peter Broqvist, Jolla Kullgren, Kersti Hermansson
Hydrogen-Bond Relations for Surface OH Species
published pages: 4849-4858, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.7b10981
The Journal of Physical Chemistry C 122/9 2020-02-24
2019 Matthew J. Wolf, Christopher W. M. Castleton, Kersti Hermansson, Jolla Kullgren
STM Images of Anionic Defects at CeO2(111)—A Theoretical Perspective
published pages: , ISSN: 2296-2646, DOI: 10.3389/fchem.2019.00212
Frontiers in Chemistry 7 2020-02-24
2019 Schmitz, G.J.
Materials Modelling: past, present, future (in German)
published pages: 8-15, ISSN: , DOI:
Forschungsmagazin RWTH THEMEN 1/2019 2020-02-24
2018 Getachew Kebede, Pavlin D. Mitev, Peter Broqvist, Anders Eriksson, Kersti Hermansson
Fifty Shades of Water: Benchmarking DFT Functionals against Experimental Data for Ionic Crystalline Hydrates
published pages: 584-594, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.8b00423
Journal of Chemical Theory and Computation 15/1 2020-02-24
2018 Wimmer Erich; Eyert Volker; Stokbro Kurt
White paper for standards of modelling software development
published pages: , ISSN: , DOI: 10.5281/zenodo.1240211
2020-02-24
2019 L. Koschmieder, S. Hojda, M. Apel, R. Altenfeld, Y. Bami, C. Haase, M. Lin, A. Vuppala, G. Hirt, G.J. Schmitz
AixViPMaP®—an Operational Platform for Microstructure Modeling Workflows
published pages: 122-143, ISSN: 2193-9764, DOI: 10.1007/s40192-019-00138-3
Integrating Materials and Manufacturing Innovation 8/2 2020-02-24
2017 Mikael Christensen, Volker Eyert, Arthur France-Lanord, Clive Freeman, Benoît Leblanc, Alexander Mavromaras, Stephen J Mumby, David Reith, David Rigby, Xavier Rozanska, Hannes Schweiger, Tzu-Ray Shan, Philippe Ungerer, René Windiks, Walter Wolf, Marianna Yiannourakou, Erich Wimmer
Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives
published pages: 92-110, ISSN: 2193-9764, DOI: 10.1007/s40192-017-0087-2
Integrating Materials and Manufacturing Innovation 6/1 2020-02-24
2017 G . J. Schmitz, H. Farivar, U. Prahl
Scenario for Data Exchange at the Microstructure Scale
published pages: 127-133, ISSN: 2193-9764, DOI: 10.1007/s40192-017-0092-5
Integrating Materials and Manufacturing Innovation 6/1 2020-02-24
2018 Georg J. Schmitz
Entropy and Geometric Objects
published pages: 153, ISSN: 2504-3900, DOI: 10.3390/ecea-4-05007
Proceedings 2/6 2020-02-24
2017 Georg J. Schmitz
A Flowchart Scheme for Information Retrieval in ICME Settings
published pages: 57-68, ISSN: , DOI: 10.1007/978-3-319-57864-4_6
2020-02-24
2017 EMMC
Materials modelling, Terminology, classification and metadata
published pages: , ISSN: , DOI:
2020-02-24
2017 David Reith, Mikael Christensen, Walter Wolf, Erich Wimmer, Georg J. Schmitz
Towards Bridging the Data Exchange Gap Between Atomistic Simulation and Larger Scale Models
published pages: 45-55, ISSN: , DOI: 10.1007/978-3-319-57864-4_5
2020-02-24

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