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NoMaD – Project No. 676580 D8.1 Terms of Reference - SAC and IAC 1 The NOMAD 1 (Novel Materials Discovery) Laboratory – a European Centre of Excellence Terms of Reference - SAC and IAC Document date: 21 Apr 2016 Document version: 1.0 Deliverable No: 8.1 Full Name Short Name Beneficiary Number Role MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. MPG 1 Coordinator KING'S COLLEGE LONDON KCL 2 Beneficiary HUMBOLDT-UNIVERSITAET ZU BERLIN HUB 3 Beneficiary THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE CAM 4 Beneficiary UNIVERSITAT DE BARCELONA UB 5 Beneficiary AALTO-KORKEAKOULUSAATIO AALTO 6 Beneficiary DANMARKS TEKNISKE UNIVERSITET DTU 7 Beneficiary BAYERISCHE AKADEMIE DER WISSENSCHAFTEN LRZ 8 Beneficiary CSC-TIETEEN TIETOTEKNIIKAN KESKUS OY CSC 9 Beneficiary BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION BSC 10 Beneficiary PINTAIL LIMITED PT 11 Beneficiary 1 Note that the abbreviation has been changed from NoMaD to NOMAD, and this will be used from now on.

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NoMaD–ProjectNo.676580

D8.1TermsofReference-SACandIAC 1

TheNOMAD1(NovelMaterialsDiscovery)

Laboratory–aEuropeanCentreofExcellence

TermsofReference-SACandIAC

Documentdate:21Apr2016Documentversion:1.0DeliverableNo:8.1

FullName ShortName

BeneficiaryNumber

Role

MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DERWISSENSCHAFTENE.V.

MPG 1 Coordinator

KING'SCOLLEGELONDON KCL 2 BeneficiaryHUMBOLDT-UNIVERSITAETZUBERLIN HUB 3 BeneficiaryTHE CHANCELLOR, MASTERS AND SCHOLARS OF THEUNIVERSITYOF CAMBRIDGE

CAM 4 Beneficiary

UNIVERSITATDEBARCELONA UB 5 BeneficiaryAALTO-KORKEAKOULUSAATIO AALTO 6 BeneficiaryDANMARKSTEKNISKEUNIVERSITET DTU 7 BeneficiaryBAYERISCHEAKADEMIEDERWISSENSCHAFTEN LRZ 8 BeneficiaryCSC-TIETEENTIETOTEKNIIKANKESKUSOY CSC 9 BeneficiaryBARCELONA SUPERCOMPUTING CENTER - CENTRONACIONALDE SUPERCOMPUTACION

BSC 10 Beneficiary

PINTAILLIMITED PT 11 Beneficiary

1NotethattheabbreviationhasbeenchangedfromNoMaDtoNOMAD,andthiswillbeusedfromnowon.

NoMaD–ProjectNo.676580

D8.1TermsofReference-SACandIAC 2

Abstract

The involvementofexternalstakeholders isofparticular importanceforauser-drivenCoE,suchastheNOMADLaboratoryCoE.Giventhehighinnovationpotential,theworkoftheNOMADLaboratoryCoEshouldbeasrelevantaspossibletoindustry,meetingtheirneedswhilemaintainingafocusonscientific excellence. To achieve this, NOMAD includes both a Scientific Advisory Committee (SAC)andanIndustryAdvisoryCommittee(IAC)-thesecommitteeswillhelptoensurethatourresearchhasscientificexcellence,aswellasindustrialandeconomicrelevance.

The SAC is composed of renowned international academic leaders from relevant fields, includingcomputerscience,theoreticalphysics,statistics,andmaterialsscience.ThekeyroleoftheSACwillbe to review our plans and outputs and suggest how they can be improved, to highlight relevantdevelopments in complementary disciplines or in other countries, to identify opportunities forcollaborationbeyondtheNOMADLaboratoryCoEandtosuggestadjustmentsorrefinementsofouractivities.

The IAC is composed of high-level decision makers and thought leaders from key representativecompanies in several sectors. The selected companies include those that could use the NOMADLaboratory CoE to develop new or better products, as well as companies that could use NOMADoutputs as the basis for new software and services. The key role of the IAC is to help to steer allactivities of theCoE in such away as to addmaximumvalue for industrial R&D, and toprovide a‘businessperspective’onourresearchagendaandservicesplans.

Thisdeliverablepresents theSACand IACTermsofReference,which summarisehow theNOMADConsortiumwillinteractwiththeseimportantcommittees.

Copyright 2016 by theNOMADConsortium. The information in this document is proprietary totheNOMADConsortium.This document contains preliminary information and is not subject to any license agreement or any otheragreementwiththeNOMADConsortium.Thisdocumentcontainsonlyintendedstrategies,developments,andfunctionalitiesandisnotintendedtobebinding upon to any particular course of business, product strategy, and/or development oftheNOMADConsortium.TheNOMADConsortiumassume no responsibility for errors or omissions in this document. Furthermore,theNOMADConsortiumdoes not warrant the accuracy or completeness of the information, text, graphics,links,orotheritemscontainedwithinthismaterial.Thisdocumentisprovidedwithoutawarrantyofanykind,eitherexpressor implied, includingbutnot limitedtothe impliedwarrantiesofmerchantability, fitnessforaparticular purpose, or non-infringement. TheNOMADConsortiumshall have noliabilityfor damages of anykind includingwithout limitationdirect, special, indirect,orconsequentialdamages thatmayresult fromtheuse of these materials. This limitation shall not apply in cases of intent or gross negligence. Thestatutoryliabilityforpersonalinjuryanddefectiveproductsisnotaffected.Inaddition,thematerialspresentedandviewsexpressedherearetheresponsibilityoftheauthor(s)only.TheEUCommissiontakesnoresponsibilityforanyusemadeoftheinformationsetout.

NoMaD–ProjectNo.676580

D8.1TermsofReference-SACandIAC 3

TermsofReference-SACandIAC1 Introduction.....................................................................................................................................4

2 Background......................................................................................................................................4

3 Approach..........................................................................................................................................5

4 Results..............................................................................................................................................5

5 Impact..............................................................................................................................................6

6 Conclusion......................................................................................................................................10

NoMaD–ProjectNo.676580

D8.1TermsofReference-SACandIAC 4

1 IntroductionTheNOMAD (NovelMaterials Discovery) Laboratory, a European Centre of Excellence, will exploithighperformancecomputing (HPC) infrastructuretoconsolidateand integratethemajorEuropeanholdingsof computationalmaterials science information into a single (virtual) centre. Through theNOMAD project, powerful new tools for search and information retrieval, big data analytics andvisualisationwillbedevelopedandmadeavailabletoresearchersfromacademiaandindustry.Ouraim is that NOMAD will become an established part of the materials landscape, and the ‘go to’locationforcomputationalmaterials-scienceservicesandinformation

The involvementofexternalstakeholders isofparticular importanceforauser-drivenCoE,suchastheNOMADLaboratoryCoE.Giventhehighinnovationpotential,theworkoftheNOMADLaboratoryCoEshouldbeasrelevantaspossibletoindustry,meetingtheirneedswhilemaintainingafocusonscientific excellence. To achieve this, NOMAD includes both a Scientific Advisory Committee (SAC)andanIndustryAdvisoryCommittee(IAC)-thesecommitteeswillhelptoensurethatourresearchhasscientificexcellence,aswellasindustrialandeconomicrelevance.

The SAC is composed of renowned international academic leaders from relevant fields, includingcomputerscience,theoreticalphysics,statistics,andmaterialsscience.ThekeyroleoftheSACwillbe to review our plans and outputs and suggest how they can be improved, to highlight relevantdevelopments in complementary disciplines or in other countries, to identify opportunities forcollaborationbeyondtheNOMADLaboratoryCoEandtosuggestadjustmentsorrefinementsofouractivities.

The IAC is composed of high-level decision makers and thought leaders from key representativecompanies in several sectors. The selected companies include those that could use the NOMADLaboratory CoE to develop new or better products, as well as companies that could use NOMADoutputs as the basis for new software and services. The key role of the IAC is to help to steer allactivities of theCoE in such away as to addmaximumvalue for industrial R&D, and toprovide a‘businessperspective’onourresearchagendaandservicesplans.

2 BackgroundThe Terms of Reference define the interactions between theNOMAD Consortium,2 SAC and IAC,therebycontributingtoachievingtheprojectobjectiveofestablishingasustainable,long-termcenterofexcellence,withasupportivegovernancemodel,whichcombinesexcellentsciencewithindustrialrelevance.

The terms provide the SAC and IACwith background information they require to be ofmaximumvalue to the project. They include an overview of the project objectives, a description of theinformationandinputstheywillreceiveduringtheproject,anoutlineoftheinputstheywillbeaskedtoprovidetotheconsortiumandadescriptionofhowthecommitteesandconsortiumwillinteractwithoneanother.

2NOMADConsortium-TheNOMADConsortium isthegroupofall13PIsoftheNOMADLaboratoryCoE.Specifically,theconsortium is represented byMatthias Scheffler (FHI), Stefan Heinzel (MPCDF), Angel Rubio (MPSD), Kristian Thygesen(DTU), Arndt Bode (LRZ), José Maria Cela (BSC), Alessandro De Vita (KCL), Claudia Draxl (HUB), Daan Frenkel (UCAM),FrancescIllas(UB),KimmoKoski(CSC)RistoNieminen(AALTO)andCiaranClissmann(PT).

NoMaD–ProjectNo.676580

D8.1TermsofReference-SACandIAC 5

3 ApproachBasedon the rolesand responsibilitiesestablished in theDoA,PTdrafted theTermsofReference,whichwerethenreviewedbytheNOMADConsortiumandapprovalbytheExecutiveTeam.

4 ResultsThefinal,approvedTermsofReferencearepresentedbelow.

4.1 SAC

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4.2 IAC

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5 ConclusionThis report has presented the SAC and IAC Terms of Reference, which have been agreed by theNOMAD Consortium and Executive Team. These terms will guide interactions between theconsortiumandcommitteesovertheprojectlifetime,helpingtoensurethattheNOMADLaboratoryCoEisscientificallyexcellent,aswellasindustriallyrelevant.