Data Documentation

Documentation of Materials Modelling and Simulation

Harmonised documentation is crucial for communication and FAIR data. The materials modelling community has come up with a terminology, classification and standardised documentation of materials modelling and simulation.

RoMM

The foundation is a compendium of over 100 projects and classification/terminology of materials modelling, the so-called RoMM (Review of Materials Modelling).

CEN Workshop Agreement

On the basis of the RoMM, a CEN Workshop Agreement, CWA 17284 “Materials modelling - terminology, classification and metadata” provides clear term definitions and a template for the documentation of simulations, the so-called MODA (Modelling Data).

Terminology used to describe materials modelling​

Models are described by ENTITY not according to the size of the application or system nor according to the length scale of the phenomena to be simulated nor according to the solver type​.

Classification of materials models

An approximated Physics/Chemistry Equation (PE) describing generic physics and its Materials Relations (MR) describing a specific material and its behaviour are called model.

Standardised documentation of Simulations (MODA)

The MODA comprises a text template and a graphical workflow template which should be used to document materials modelling workflows for EU projects, but they may also find use in organisations' documentations or in supplementary documents of scientific publications.

A compendium of over 100 projects and classification/terminology of materials modelling can be found in the Review of Materials Modelling (RoMM).

More information on MODA you may find in the presentation "MODA - MOdelling DAta generalisation" given within the EMMC 2017 International Workshop in Vienna.

Use cases

ProjectProject LinkDocument TypeModelWorkflowYearDocument
ALLIANCE
https://cordis.europa.eu/project/id/723893
MODAcontinuumTightly Coupled2016Members only
ALMA
https://cordis.europa.eu/project/id/645776
MODAelectronic, mesoscopicConsecutive2016Members only
ALMA
https://cordis.europa.eu/project/id/645776
graphical workflowelectronic, mesoscopicConsecutive2016Members only
ARCIGS-M
https://cordis.europa.eu/project/id/720887
MODAelectronic, continuumConsecutive2016Members only
CORNET
https://cordis.europa.eu/project/id/760949
MODAelectronicConsecutive2018Members only
CORNET
https://cordis.europa.eu/project/id/760949
MODAcontinuumConsecutive2018Members only
DACOMAT
https://cordis.europa.eu/project/id/761072
MODAcontinuumConsecutive2017Members only
DACOMAT
https://cordis.europa.eu/project/id/761072
graphical workflowcontinuumConsecutive2017Members only
EIROS
https://cordis.europa.eu/project/id/685842
graphical workflowatomistic, electronic, mesoscopicConsecutive2016Members only
EnDurCrete
https://cordis.europa.eu/project/id/760639
MODAcontinuum, databasedConsecutive2018Members only
EnDurCrete
https://cordis.europa.eu/project/id/760639
graphical workflowcontinuum, databasedConsecutive2018Members only
EXTMOS
https://cordis.europa.eu/project/id/646176
MODAelectronic, atomistic, mesoscopic, continuumConsecutive, Tightly Coupled2016Members only
EXTMOS
https://cordis.europa.eu/project/id/646176
graphical workflowelectronic, atomistic, mesoscopic, continuumConsecutive, Tightly Coupled2016Members only
FASTGRID
https://cordis.europa.eu/project/id/721019
MODAcontinuumConsecutive2017Members only
FOTOH2
https://cordis.europa.eu/project/id/760930
graphical workflowelectronic, continuumConsecutive2017Members only
FOTOH2
https://cordis.europa.eu/project/id/760930
MODAelectronic, continuumConsecutive2017Members only
GENESIS
https://cordis.europa.eu/project/id/760899
graphical workflowelectronic, atomisticConsecutive2017Members only
GENESIS
https://cordis.europa.eu/project/id/760899
MODAelectronic, atomisticConsecutive2017Members only
ICMEG
https://cordis.europa.eu/project/id/606711
MODAdatabasedConsecutive2016Members only
INNOVIP
https://cordis.europa.eu/project/id/723441
MODAcontinuumConsecutive2016Members only
IN-POWER
https://cordis.europa.eu/project/id/720749
MODAcontinuumConsecutive2017Members only
IN-POWER
https://cordis.europa.eu/project/id/720749
MODAcontinuumConsecutive2017Members only
LoCoMaTech
https://cordis.europa.eu/project/id/723517
MODAcontinuumConsecutive2016Members only
LoCoMaTech
https://cordis.europa.eu/project/id/723517
graphical workflowcontinuumConsecutive2016Members only
Lorcenis
https://cordis.europa.eu/project/id/685445
graphical workflowelectronic, continuumConsecutive, Tightly Coupled2016Members only
Lorcenis
https://cordis.europa.eu/project/id/685445
MODAelectronic, continuumConsecutive, Tightly Coupled2016Members only
MASTRO
https://cordis.europa.eu/project/id/760940
MODAmesoscopic, continuumIterative, Tightly Coupled2018Members only
MASTRO
https://cordis.europa.eu/project/id/760940
graphical workflowmesoscopic, continuumIterative, Tightly Coupled2018Members only
MODCOMP
https://cordis.europa.eu/project/id/685844
graphical workflowatomistic, mesoscopic, continuumConsecutive, Tightly Coupled2016Members only
MOSTOPHOS
https://cordis.europa.eu/project/id/646259
MODAelectronic, atomistic, mesoscopic, continuumConsecutive2016Members only
N2B-patch
https://cordis.europa.eu/project/id/721098
MODAcontinuumConsecutive2017Members only
NanoPack
https://cordis.europa.eu/project/id/720815
MODAcontinuumConsecutive2017Members only
NanoPack
https://cordis.europa.eu/project/id/720815
graphical workflowcontinuumConsecutive2017Members only
NEOHIRE
https://cordis.europa.eu/project/id/720838
MODAcontinuumConsecutive2017Members only
NewSOL
https://cordis.europa.eu/project/id/720985
MODAelectronic, continuumConsecutive2017Members only
NewSOL
https://cordis.europa.eu/project/id/720985
graphical workflowelectronic, continuumConsecutive2017Members only
NEXTOWER
https://cordis.europa.eu/project/id/721045
MODAcontinuumConsecutive2017Members only
NEXTOWER
https://cordis.europa.eu/project/id/721045
graphical workflowcontinuumConsecutive2017Members only
OYSTER
https://cordis.europa.eu/project/id/760827
graphical workflowatomistic, mesoscopicConsecutive2018Members only
OYSTER
https://cordis.europa.eu/project/id/760827
graphical workflowatomistic, mesoscopicConsecutive2018Members only
OYSTER
https://cordis.europa.eu/project/id/760827
graphical workflowatomistic, mesoscopic, continuumConsecutive2018Members only
PARTIAL_PGM
https://cordis.europa.eu/project/id/686086
graphical workflowelectronic, mesoscopic, continuumConsecutive, Tightly Coupled2016Members only
POROUS4APP
https://cordis.europa.eu/project/id/686163
MODAelectronic, atomistic, mesoscopic, continuumIterative2016Members only
POROUS4APP
https://cordis.europa.eu/project/id/686163
graphical workflowelectronic, atomistic, mesoscopic, continuumIterative2016Members only
ProDIA
https://cordis.europa.eu/project/id/685727
MODAcontinuumConsecutive2016Members only
SimPhoNy
https://cordis.europa.eu/project/id/604005
MODAatomistic, continuumIterative2016Members only
SimPhoNy
https://cordis.europa.eu/project/id/604005
graphical workflowatomistic, continuumIterative2016Members only
SINTBAT
https://cordis.europa.eu/project/id/685716
MODAcontinuumTightly Coupled2016Members only
SINTBAT
https://cordis.europa.eu/project/id/685716
graphical workflowcontinuumTightly Coupled2016Members only
SMARTFAN
https://cordis.europa.eu/project/id/760779
graphical workflowatomistic, mesoscopic, continuumConsecutive2018Members only
STARCELL
https://cordis.europa.eu/project/id/720907
MODAelectronic, continuumConsecutive2017Members only
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