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Author: Ernst-Dieter

EMMC Expert Group Meetings @ EMMC Workshop Turin, July 8-10, 2019

Within the EMMC Workshop “Industrial impact of materials modelling” on July 8-10, 2019 in Turin (IT) also EMMC Expert Group meetings are included into the programme.

The Expert Meeting on “Open Simulation Platforms, Interoperability for industrial application”

is organised in “Session 5 – Interoperability and integration” (Chair: Gerhard Goldbeck – Goldbeck Consulting, UK)
Talks by Gerhard Goldbeck & Jesper Friis – Goldbeck Consulting (UK) & SINTEF (NO), Piotr Macioł – AGH University of Science and Technology (PL) and Ian Bruno – Cambridge Crystallographic Data Centre (UK).

“Cloud-based solutions” Expert Meeting

is part of “Session 2: Software deployment” (Chair: Volker Eyert – MDS, FR)
Talks by Beatrice Carasi – COMSOL (IT), Umberto Martinez – Synopsys (DK) and Gabriele Mogni – Exabyte.io (US)

The Expert Meeting on “Tactics and tools for companies to engage in materials modelling”

is covered by “Session 3: Economic impact of materials modelling” (Chair: Donna Dykeman – ANSYS, UK)
Talks by Glenn Jones – Johnson Matthey (UK), Emilio Paolucci – Politecnico di Torino (IT), Sophie Snook – ANSYS Discovery Live (FR) and Malgorzata Celuch – QWED Sp. z o.o. (PL)

The outcome of the Expert Meetings and the whole Workshop is published on the event page now!

Organisation & Contact

Workshop organization: Pietro Asinari and Luca Bergamasco Politecnico di Torino, Italy. Please contact Luca Bergamasco for information!

Support

These events have received funding via the EMMC-CSA Project
from the European Union’s Horizon 2020
Research and Innovation Programme under Grant Agreement No 72386

EMMC-CSA Report on ““Story boards of materials modelling”


Several storyboards have been developed for the video series on the economic training for Translators, Maturity model, the Business Decision Support System (BDSS)
and EMMC Case Studies refering to Task “Enhance the visibility of materials modelling possibilities to industry, in particular SMEs” of the EMMC-CSA working programme.

The major outcome is a series of several videos, related to economic training concepts for Translators, to the Maturity model and BDSS
and a number of  Case Studies, available on https://emmc.info/emmc-case-studies/.

All the videos are publicly available on the EMMC YouTube channel

https://www.youtube.com/c/european-materials-modelling-council.

Report

thumbnail of EMMC-CSA_D6.5_M36_vfinal_PU-WEB

 

Authors
Luca Bergamesco (POLITO)
Alexandra Simperler (GCL)
Davide Di Stefano ( ANSYS-GRANTA )


Support

The preparation of this report has received funding via the EMMC-CSA Project
from the European Union’s Horizon 2020 Research and Innovation Programme 
under Grant Agreement No 72386

EMMC-CSA Workshop on Industrial impact of materials modelling – REPORT available now!

The report on the outcome of the Workshop

Industrial impact of materials modelling – achievements and perspectives 8-10 July 2019 – Sala Teatro, SiTI (Links Foundation), Politecnico di Torino – Turin, Italy

has been published on the event page!!

Organisation

Support

This event has received funding via the EMMC-CSA Project
from the European Union’s Horizon 2020
Research and Innovation Programme under Grant Agreement No 72386

 

EMMC feat. MaX-Webinar “Industry and Materials design at the eXascale: Briding the gap”


EMMC Executive Secretary Gerhard Goldbeck has been invited to give a presentation within this webinar.

September 4, 2019 / 10 am CEST

What is the state of the art in the computational design of materials for industrial applications? How is it changing and what are the perspectives with the new supercomputing architectures? How to approach this field from industry, and how to get advice and support in Europe?

Through examples of industrial relevance developed within the MaX Centre, this Webinar illustrates recent advances in computational materials research based on quantum physics and electronic structure methods, more …

Registration link

 

EMMC Webinar “Why set up a modelling SME when you are student? The economic impact of QuickWave software”


The webinar will be given by Dr. Malgorzata Celuch, General Director of QWED

August 23, 2019 / 12-1.30 pm CEST

Dr. Malgorzata Celuch will share her story how she founded QWED (www.qwed.eu), a Polish SME.  QWED, QuickWave – software for Electromagnetic Design,
is a general-purpose electromagnetic simulator based on the conformal Finite-difference time-domain (FDTD) method and supplemented with a range of
unique models for curved boundaries, media interfaces, modal excitation, and parameter extraction. More …

Organisation

In case you have any questions regarding the webinar please don’t hesitate to contact Dr. Simperler. (email: alex@goldbeck-consulting.com)

      

Registration

For registration please use the online booking tool on the event page!

Support  

The organisation of the webinar is supported
by the funded EU project EMMC-CSA, Grant Agreement No. 723867.

Thus, the participation in the EMMC Webinar is free.

EMMC Case Study MCL

 

EMMC and MCL (Materials Center Leoben) present the CASE STUDY

Grain boundary engineering on the atomic scale

Interview of Dr Lorenz Romaner, Materials Center Leoben Forschung GmbH (MCL)

Writers: Alexandra Simperler and Gerhard Goldbeck (Goldbeck Consulting)

The case study is based on projects were MCL provided the modelling expertise and two Austrian companies, Plansee and Voestalpine AG, were involved as industrial partners.

Plansee has expertise in refractory alloys and composite materials and Voestalpine AG is a steel-based technology and capital goods provider.

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Funding

This work has received funding via the EMMC-CSA project
from the European Union‘s Horizon 2020 research and innovation programme
under Grant Agreement No 723867

EMMC Case Study ICAMS, Ruhr-Universität Bochum

 

EMMC and ICAMS present the CASE STUDY

Data-driven Methods for Atomistic Simulations

Interview of Dr Yury Lysogorskiy, ICAMS, Ruhr-Universität Bochum

Writers: Alexandra Simperler and Gerhard Goldbeck (Goldbeck Consulting)

The case is based on Dr Lysogorskiy’s papers “Transferability of interatomic potentials for molybdenum and silicon”, Y. Lysogorskiy, T. Hammerschmidt, J. Janssen, J. Neugebauer and R. Drautz; Modelling Simul. Mater. Sci. Eng. 27 (2019) 025007 (DOI: https://doi.org/10.1088/1361-651X/aafd13)

and “pyiron: An integrated development environment for computational materials science”, J. Janssen, S. Surendralal, Y. Lysogorskiy,
M. Todorova, T. Hickel, R. Drautz, and J. Neugebauer; Computational Materials Science 163 (2019) 24-36 (DOI: https://doi.org/10.1016/j.commatsci.2018.07.043)

thumbnail of EMMC_CASESTUDY_YLysogorskiy

                       

Funding

This work has received funding via the EMMC-CSA project
from the European Union‘s Horizon 2020 research and innovation programme
under Grant Agreement No 723867

 

EMMC Documentation on Training material for standards in software development and where to find it

 

This documentation is an Annex to the “White paper for standards of modelling software development”
providing links to and training material to be used for developers of modelling software.

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“Training material for standards in software development and where to find it”

Authors

Kurt Stokbro (SYNOPSYS)
Gerhard Goldbeck, Alexandra Simperler (both GCL)
Erich Wimmer, Volker Eyert (both MDS)


Support

The preparation of this documentation has received funding via the EMMC-CSA Project
from the European Union’s Horizon 2020 Research and Innovation Programme
under Grant Agreement No 72386

EMMC Case Study Kim Jelfs, Imperial College London

 

EMMC and Kim Jelfs (Imperial College London) present the CASE STUDY

“Machine Learning for Organic Cage Property Prediction”

Interview of Kim Jelfs, Imperial College London
Writers: Alexandra Simperler and Gerhard Goldbeck (Goldbeck Consulting)

The case describes how they use machine learning to predict shape persistence and cavity size in porous organic cages.
Therefore, they created the largest computational database of these molecules comprising 63,472 cages, ….

thumbnail of EMMC_KJELFS_CASESTUDY

        
 

Support

This work has received funding via the EMMC-CSA project 
from the European Union‘s Horizon 2020 research and innovation programme
under Grant Agreement No 723867 

Within the framework of the EMMC, H2020 Projects “FORCE”, “MarketPlace”, and VIMMP” are taking part in the Minisymposium at ICIAM 2019, July 16, 2019, Valencia – Spain

 

BANNER

Track: MIA.4 – “Industrial mathematics infrastructures around the world to promote industry-academia collaborations”

 

Within the framework of the EMMC, H2020 Projects “FORCE”, “MarketPlace”, and VIMMP” are taking part in the Minisymposium at ICIAM 2019, July 16, 2019, Valencia – Spain

Abstract

Minisymposium ““Molecular and Mesoscopic Modelling in Chemical Engineering Data Science”

Reaching quantitative agreement with available experimental data, and predicting properties where data are absent, molecular and mesoscopic modelling transforms chemical engineering data science.

This minisymposium discusses virtual marketplaces and platforms by which the knowledge from multiscale modelling and simulation can be transferred to engineering practice. This requires an institutionalized collaboration between academic and industrial engineering, scientific computing, and applied mathematics, and jointly governed semantic assets to ensure the interoperability of models, numerical solvers, and databases.

Initiatives working toward this (FORCE, MarketPlace, and VIMMP) are represented at the minisymposium jointly with translators who connect method development with engineering practice.

Detailed information on the programme of the Minisymposium!!

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Organizers

Support

Projects are funded within the European Union’s Horizon 2020 research and innovation programme
FORCE – Grant Agreement No. 721027
VIMMP – Grant Agreement No. 760907
MarketPlace – Grant Agreement No. 760173