Date/Time
Date(s) - Tuesday, November 7, 2017 - Wednesday, November 8, 2017
10:00 am - 4:00 pm
Location
St John's Innovation Centre
Categories
Report of the workshop on Interoperability in Materials Modelling
Materials Modelling has become an essential part of research, development, engineering and upscaling of advanced materials in a wide range of industry sectors. However, the routes to utilising materials modelling and achieving impact can be arduous. For wider use and increased impact, it must become easier to combine and connect different models and codes as well as models, workflows and data. Also, connections and routes in between different actors require improvement, calling for ‘digital marketplaces’ where the different stakeholders can interact more easily. Integration of materials modelling into the R&D enterprise in the age of Industry 4.0 requires the whole field to step back and work together on interoperability solutions that go much beyond stringing together workflows with syntactically based scripting. It calls for interoperability solutions that are based on semantic approaches with metadata backed up by an ontology framework.
Purpose and objective of the workshop
The purpose is to discuss recent developments in interoperability approaches in materials modelling and related fields, following on from discussions at the First EMMC International Workshop (Notes from that event will be available to workshop delegates). In particular, the workshop will focus on semantic interoperability based on a future European Materials Modelling Ontology (EMMO). Definitions of some of the terms in such an ontology are the subject of a CEN Workshop Agreement.
Communication standards between models and databases will also be discussed, including initial requirements for cataloguing simulations in data repositories, and general requirements for Translation and Training components with a view to integration into future Materials Modelling Marketplaces.
EMMC is seeking support of the wider materials modelling community for the development of a European Materials Modelling Ontology as a basis for interoperability and domain specific metadata.
Participants
Representatives from the academic and industrial materials modelling community covering different types of models and applications, database repository owners and project representatives. The workshop is limited to 50-60 experts.
Final Programme and Discussion Notes
EMMC-IntOp2017-Final Programme and Discussion Notes
Agenda
7th November 2017
10:00 – 10:30 Arrival, Refreshments
10:30 -10:40 Introduction to the Workshop
Gerhard Goldbeck (Goldbeck Consulting Ltd) and Adham Hashibon (Fraunhofer IWM)
EMMC_IntOp2017-Cambridge_Goldbeck_Introduction
Session 1: Status and requirements for interoperability
10:40 -11:00 Data and modelling integration at Dow
Hein Koelman (Dow Chemical)
EMMC_IntOp2017-Cambridge_Koelman_Dow
11:00- 11:20 Materials Modelling and Interoperability – Siemens PLM Vision
Stijn Donders (Siemens PLM)
EMMC_IntOp2017-Cambridge_Donders_SiemensPLM
11:20 – 11:40 Ontology requirements for software realisation
Wolfgang Wenzel (KIT and Nanomatch)
EMMC-IntOp2017-Cambridge_Wenzel_KIT
11:40 – 12:10 Interoperability approaches and implementations in current EU Projects
Borek Patzak (Czech Technical University; CompoSelector Project), Adham Hashibon (Fraunhofer IWM, FORCE Project), Jesper Friis (SINTEF, NanoSim Project)
EMMC_IntOp2017-Cambridge_Patzak_CTU
12:10 – 12:30 Discussion on Session 1
12:30 – 13:30 Lunch
Session 2: Ontologies for interoperability
13:30 – 14:00 Introduction to the Industry Ontologies Foundry
Barry Smith (University of Buffalo)
EMMC-IntOp2017-Cambridge_Smith_Buffalo
14:00 – 14:30 Big Data transforms into Big Analysis: the convergence of Formal Semantics & Data Science in Life Sciences
Heiner Oberkampf (Osthus)
EMMC_IntOp2017_Cambridge_Oberkampf_OSTHUS
14:30 – 14:50 Ontologies and rule-based knowledge in Knowledge-Driven Optimisation
Piotr Maciol (AGH University of Science and Technology, Krakow)
EMMC_IntOp2017-Cambridge_Maciol_AGH
14:50 – 15:10 Using ontology to augment measurements data with physico-chemical simulation for industrial application
Amit Bhave (CMCL Innovations)
EMMC_IntOp2017_Cambridge_Bhave_CMCL
15:10 – 15:30 Discussion
15:30 – 16:00 Break
16:00 – 16:30 European Materials Modelling Ontology (EMMO)
Emanuele Ghedini (University of Bologna), Adham Hashibon (Fraunhofer IWM), Jesper Friis (SINTEF), Gerhard Goldbeck (GCL), Georg Schmitz (ACCESS), Anne de Baas (EC DG RTD NMBP)
EMMC_IntOp2017-Cambridge_Ghedini_Bologna
16:30 – 17:30 Interoperability Discussion and Action planning
Moderator: Gerhard Goldbeck
19:30 – 21:30 Dinner at Hilton Hotel Cambridge
8th November 2017
Session 3: Data and documentation
09:00 – 09:30 Materials Modelling Data and Documentation: terminology, classification and ontology towards Digital Single Market
Anne de Baas (EC DG RTD NMBP)
EMMC_IntOp2017_Cambridge_deBaas_EC
09:30 – 10:00 Simulation documentation with Materials Modelling data tables (MODA): portal demo
Adham Hashibon (Fraunhofer IWM)
EMMC_IntOp2017-Cambridge_Hashibon_ModaPortal
10:00 – 10:30 NOMAD Metadata for all
Fawzi Mohamed (Fritz-Haber-Institut and NOMAD Project)
EMMC_IntOp2017-Cambridge_Mohamed_NOMAD
10:30 – 11:00 Coffee break
Session 4: Materials Modelling Marketplaces
11:00 – 11:30 Workflows and data integration, vision and sustainability
Nicola Marzari (EPFL)
EMMC_IntOp2017-Cambridge_Marzari_EPFL
11:30 – 12:00 On system thinking, knowledge synthesis and data-driven analytics
Guido Smits (DataStories Int.)
EMMC_IntOp2017-Cambridge_Smits_DataStories
12:00 – 12:30 European Materials Modelling Marketplaces
Welchy Leite Cavalcanti (Fraunhofer IFAM, VIMMP Project), Adham Hashibon (Fraunhofer IWM, MarketPlace Project), Gerhard Goldbeck (GCL), Nicola Marzari (EPFL, MaterialsCloud), Sergio Lopez Lopez (SCM, Fortissimo Project)
12:30 – 13:30 Lunch
13:30 – 14:00 Connecting to infrastructure
Jörg Meyer (Steinbuch Centre for Computing, KIT)
EMMC_IntOp2017-Cambridge_Meyer_Steinbuch
14:00 – 14:30 Building a materials modelling marketplace: challenges for SME’s and research organisations
Didrik Pinte (Enthought)
EMMC_IntOp2017-Cambridge_Pinte_Enthought
14:30- 15:15 Panel on Materials Modelling Marketplaces including ontology, repository, workflow management, curation and sustainability
David Cebon (Granta Design), Eric Little, Katya Vladislavleva, Welchy Leite Cavalcanti, Nicola Marzari, Adham Hashibon;
Chair: Anne de Baas
15:15 – 16:00 Marketplaces Discussion and Action planning
Moderator: Adham Hashibon
16:00 – 16:15 Closing remarks
Gerhard Goldbeck, Adham Hashibon, Anne de Baas
Organisation and contact
EMMC partner Goldbeck Consulting Ltd manages the organisation of the workshop. For further information and to register your interest in participating, please contact:
emmc@goldbeck-consulting.com
Event Funding and Sponsors
This event has received funding via the EMMC-CSA Project from the E
uropean Union’s Horizon 2020 Research and Innovation Programme under Grant Agreement No 723867
The National Centers of Competence in Research (NCCR) are a research instrument of the Swiss National Science Foundation
