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Category: results

all results of the emmc, including economic impacts, deliverables, case studies, etc are here.

EMMC Webinar on “How to find the right business model for materials modelling software”


Date WED, August 28, 2019 – 10:00 am – 11:30 am CEST

The webinar will be presented by Dr. Alex Simperler (Goldbeck Consulting)

The webinar is based on the White Paper ” A guide to find the right business model for materials modelling software”, in preparation.

This facilitation workshop invites persons who are thinking about offering their software to the market and aims to provide some thought-provoking impulses to get them started.

EMMC kindly invites Materials Model Software or Scienitific Software Developers and Users to attend the webinar.

More details on the event page!

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 UCL


EMMC and UCL present the Case Study

Mapping Binary Copolymer Property Space with Neural Networks

Interview of Dr Martijn Zwijnenburg, University College London
Writers: Alexandra Simperler and Gerhard Goldbeck

The case is based on the paper “Mapping binary copolymer property space with neural networks”
L. Wilbraham, R.S. Sprick, K.E. Jelfs, M.A. Zwijnenburg, Chem. Sci., 2019,10, 4973-4984. DOI:
10.1039/C8SC05710A

thumbnail of EMMC_MZwijnenburg_CASESTUDY

         


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-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 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.

thumbnail of EMMC_CASESTUDY_MCL_1

               

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.

thumbnail of EMMC-CSA-D5.3_M22_vfinal_PU-WEB

 

“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