The NOMAD (Novel Materials Discovery) Laboratory – a ... · 1 Introduction Dissemination and communications were a collaborative effort of all partners during the project, carried

TheNOMAD(NovelMaterialsDiscovery)

Laboratory–aEuropeanCentreofExcellence

DisseminationReport

DeliverableNo:7.3

ExpectedDeliveryDate:31/10/2018,M36ActualDeliveryDate:14/11/2018,M37

LeadBeneficiary:PintailLimited(PT)

ContributingBeneficiaries:MaxPlanckSociety(MPG),King’sCollegeLondon(KCL),Humboldt-UniversitaetzuBerlin(HUB),UniversityofCambridge(CAM),Universitatde

Barcelona(UB),AaltoUniversity(AALTO),TechnicalUniversityofDenmark(DTU),LeibnizRechenzentrum(LRZ),CSC-ITCenterforScience(CSC),BarcelonaSupercomputingCenter

(BSC)

NoMaD–ProjectNo.676580

*TheacronymhasbeenchangedfromNoMaDtoNOMAD-NoMaDisusedhereinreferencetotheacronymusedintheGrantAgreement.Copyright 2016/2017/2018 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.TheNOMADConsortiumassumes no responsibility for errors or omissions in this document. Furthermore,theNOMAD Consortiumdoes 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.D7.3DisseminationReport 2

ExecutiveSummaryTheNOMADLaboratory Centre of Excellence (CoE) has developed a rangeof tools and services tomaximize the value of computational materials science data generated at high-performancecomputing(HPC)centersaroundtheworld.Disseminationandcommunicationtokeystakeholders,includingresearchers,industryandthegeneralpublic,hasbeenessentialtoachievingtheexpectedimpacts of the CoE. TheNOMAD Consortium has undertaken a broad range of activities to reachthese stakeholders, which are summarized in this report, as well as previous deliverable reports(D7.1 ‘Website’, D7.2 ‘Promotional Materials’, D7.4 ‘Exploitation Workshop Report’ and D7.5‘Workshops& Tutorials Summary’). During the project, the team hasmaintained an active onlinepresence, published over 45 open access, peer-reviewed publications, given over 215 invited orplenary presentations, hosted or co-sponsored 29 NOMAD events, published five newsletters andparticipatedinanumberofpublicevents.


D7.3DisseminationReport 3

DisseminationReport1 Introduction.................................................................................................................4

2 Results.........................................................................................................................42.1 Websiteandsocialmedia..................................................................................................42.2 Publications.......................................................................................................................5

2.2.1 NOMAD:TheFAIRconceptforbig-datadrivenmaterialsscience......................................52.2.2 Towardsefficientdataexchangeandsharingforbig-datadrivenmaterialsscience:metadataanddataformats.............................................................................................................6

2.3 Academicpresentations....................................................................................................62.3.1 WATOC2017.......................................................................................................................72.3.2 LongProgramsoftheInstituteforPureandAppliedMathematics...................................72.3.3 DPGandEPS2018Meetings...............................................................................................82.3.4 PASC2018...........................................................................................................................92.3.5 GlobalIoTSummitinBilbao2018.....................................................................................10

2.4 NOMADEvents&PublicEvents........................................................................................102.5 Videos..............................................................................................................................11

2.5.1 “Explainer”videos.............................................................................................................112.5.2 AdvancedGraphicsvideos................................................................................................122.5.3 Workshop&conferencevideos........................................................................................12

2.6 Newsletters......................................................................................................................132.7 Disseminationmaterials...................................................................................................14

3 Conclusion..................................................................................................................14



1 IntroductionDissemination and communications were a collaborative effort of all partners during the project,carriedoutinlinewiththeplandescribedintheDescriptionofAction.Weplannedandimplementeda rangeof activities inorder toeffectivelydisseminateand communicate theprojectoutcomes tokey stakeholders (academic and industrial materials scientists, HPC organisations and networks,otherCoEsandresearchprojects,andthegeneralpublic,policymakersandmedia).Thesedifferentaudiences havewidely variable levels of scientific literacy, so our activities have been carried outwiththisinmind.Theplanincludedaprojectwebsiteandsocialmediaaccounts,engagementwithmedia, development and distribution of promotional materials, academic publications andconferences,collaborationwithrelatedprojectsandnetworks,andengagementwithkeynetworksinbothcomputationalmaterialsscience(Psi-k,CECAM)andHPC(ETP4HPC,PRACE,EXDCI,EUDAT).TheconsortiumreviewedtheplanregularlyduringtheWP7updateatprojectmeetings.Allplannedactivitieshavebeendelivered.

2 Results

2.1 Websiteandsocialmedia

Theprojectwebsite(https://nomad-coe.eu/)waslaunchedattheprojectstartandinitiallydescribedtheScopeandplannedactivitiesoftheCoE,introducedtheTeam,providedpreliminaryinformationfor the media and gave Contact details for various teams within NOMAD. Over the remainingdurationoftheproject,thewebsitewasextendedandcontinuouslyupdated.

Thehomepage(Figure1)givesadynamicviewoftheproject,includingaprojectoverview,summaryofNOMADSuccessStories,anactiveNewsfeedandlinkstooursocialmediachannels.Eachserviceelement of the CoE (Repository, Archive, Encyclopedia, Analytics Toolkit, Advanced Graphics,HPCInfrastructureandServices)hasit’sownareaonthewebpage,easilyaccessedfromtilesonthehomepage. Access to NOMAD services was provided through these tiles, as they were developed andbecameavailableforpublicuse.Dedicatedmenusforgeneraloutreachandindustrynetworkingarealsoincluded.

Thedisseminationandcommunicationactivitiesdescribedinthefollowingsectionsareall includedascontentontheprojectwebsite.Theteamfocusedondevelopingengagingvisualcontentforthewebsite to reach a wide range of audiences. For example, a number of “explainer” videos areincludedonthewebsite,aswellasmorein-depthvisualizationvideos(section2.5).

Social media channels were also launched at the project start (Twitter: @NoMaDCoE; Facebook:@nomadCoE) with additional channels added later at the suggestion of industry (LinkedIn:https://www.linkedin.com/company/nomadlaboratory/) and other researchers (ResearchGate:https://www.researchgate.net/project/The-NOMAD-Laboratory-a-European-Centre-of-Excellence).Followings have been established on Twitter (565 followers) and Facebook (148 followers) fromregular posting of project updates, live posting from NOMAD events (e.g. #NOMADSummer2018)and re-tweeting/sharing content from other key accounts in the field, such as @Psik_Network,@PRACE-RIandprojectpartnerswithactivesocialmediapresences(e.g.@LRZand@BSC_CNS).



Figure1:NOMADHomepage,asof16October2018

2.2 Publications

TheNOMADteamhasmorethan45openaccesspublications,withmanymoreinpreparationbasedonourfinalactivities.Afulllistofallpublications,includinglinkstofullopenaccess,PDFversions,isavailableontheprojectwebsite:https://www.nomad-coe.eu/the-project/publications.

Below,wehighlightanumberofkeypublications.

2.2.1 NOMAD:TheFAIRconceptforbig-datadrivenmaterialsscience

In 2018, Claudia Draxl and Matthias Scheffler published an invited article, “NOMAD: The FAIRconcept forbig-datadrivenmaterials science” in theMRSBulletin (MRSBulletin43,676 (2018)),ajournaloftheUSMaterialsResearchSociety.InaTopicalIssueonData-CentricScienceandMaterialsInnovation, they wrote about FAIR (Findable, Accessible, Interoperable, Re-usable) principles andhowtheyhavebeenapplied inNOMADandthematerialssciencecommunity.Theyalsoexplainedthe fourth paradigmofmaterials science,which is becomingBig-Data-driven science (Figure 2). Inthisparadigm,itisrecognizedthatBigDatacontaincorrelations,reflectedintermsofstructureandpatterns in the data that are not visible in small data sets, and thatmany properties ofmaterialscannot be described by a closedmathematical form as they are determined by several intricate,multi-leveltheoreticalconcepts.ThispublicationalsodescribedthefiveelementsoftheNOMADCoE(Repository,Archive,Encyclopedia,Big-DataAnalyticsandVisualization),andshowedrecentuploadstatistics,whichreflecthowNOMADhasbeenacceptedandisbeingusedbythecommunity.



Figure2:Developmentofparadigms(newmodesofthought)ofmaterialsscienceandengineering.

2.2.2 Towards efficient data exchange and sharing for big-data driven materials science: metadata and dataformats

With big-data drivenmaterials research, the new paradigm ofmaterials science, sharing and wide accessibility of data arebecoming crucial aspects. In their 2017 publication, “Towardsefficient data exchange and sharing for big-data drivenmaterials science: metadata and data formats” (npjComputational Materials3, 46 (2017)), Luca Ghiringheli et al.describe two strategies for standardization, a pre-requisite fordata exchange and Big-Data analytics: (i) accepting theheterogeneous nature of data from the materials sciencecommunity anddeveloping “converters” to translate data intostandardized code-independent format, and (ii) providingstandardized open libraries for code developers to adopt togenerate code-independent data. The authors argue that thetwoapproachesarecomplementary,ifnotevensynergetic,andhighlight the importance of hierarchical metadata describingstate-of-the-artelectronic-structurecalculations(Figure3).

2.3 Academicpresentations

Overthecourseoftheproject,seniormembersoftheNOMADteamhavegivenover215invitedorplenarypresentationsatimportantconferencesinmaterialsscienceandHPC,suchastheCongressof the World Association of Theoretical and Computational Chemists, Materials Research Societymeetings, the American Physical Society March Meeting and the International SupercomputingConference.Theteamalsogaveover45contributedtalksandpresented14posters.Afulllistofallpresentations is available on the project website: https://www.nomad-coe.eu/outreach-presentations.

Below,wepresentexamplesshowcasingNOMAD’simpressivepresenceatacademicconferences.

Figure 3: Simplified metadata structureaccording to NOMAD Meta Info, from npjComputationalMaterials3,46(2017).



2.3.1 WATOC2017

The11th Triennial Congress of theWorldAssociationof Theoretical andComputational Chemistry(WATOC)washeld inMunich from27August to01September2017.Thecongress showcased theincreasinglyimportantroleplayedbytheoreticalandcomputationalchemistryacrossawiderangeofdisciplines, from biochemistry to nanotechnology to materials science. Around 1,500 participantsfromallovertheworldregisteredtojoinanimpressiveprogramwith12plenary,215invitedand136contributedspeakers.MatthiasScheffler(MPG-FHI)andClaudiaDraxl(HUBerlin)bothgaveinvitedtalks:

• “Big data of the chemical physics of materials: discovering interpretable patterns,correlationsandcausality”(Scheffler,Figure4),and

• “Fromevaluationofmethodologytoerrorbarsincomputationalmaterialsscience”(Draxl).

RubénGarcía-Hernández also presented a poster about the “Virtual-reality viewon chemistry andmaterialsscience”.

Figure4:MatthiasSchefflergivesaninvitedtalkatWATOC2017.

2.3.2 LongProgramsoftheInstituteforPureandAppliedMathematics

NOMAD has contributed to Long Programs of theworld-renowned Institute for Pure and AppliedMathematics (IPAM, https://www.ipam.ucla.edu/). The institute aims to spark interdisciplinarycollaborations, like those facilitated by NOMAD, and sponsors programs attended by over 2,000participantseachyear.

InSeptember2016,attheIPAMUnderstandingMany-ParticleSystemswithMachineLearningLongProgram,organizedinpartbyNOMAD’sGáborCsányi(CAM). MatthiasScheffler(MPG-FHI),MatthiasRupp (MPG-FHI) andClaudiaDraxl (HUBerlin) gave invited talks as part of themain programandworkshop/tutorialsessions:

• “LearningDescriptorsfromMaterials-Science(Big)Data”(Scheffler),• “PracticalTutorialonMachineLearningforElectronicStructureCalculations”(Rupp),• “Newdata,validation,codeandrepresentationof interpolationacrosschemicalcompound

space”(Rupp),and• “Big data inmaterials science: New tools for getting insight intomaterials properties and

functions”(Draxl,Figure5,videoavailable:https://bit.ly/2QUoMQP).



Figure5:ClaudiaDraxlspeaksatIPAMUnderstandingMany-ParticleSystemswithMachineLearningLongProgram.

In January 2017, Claudia Draxl (HU Berlin) joined another IPAM Workshop, Big Data MeetsComputation, to give an invited talk “From high-performance computing to big-data analytics ofmaterialsscienceandback”(videoavailable:https://bit.ly/2NKqe6x).

Most recently, Claudia Draxl (HU Berlin) sat on the organizing committee of the Long ProgramScience at Extreme Scales: Where Big Data Meets Large-Scale Computing, running from 12September–14December2018,includingactingasamemberoftheorganizingcommitteefortheworkshopHPCandDataScienceforScientificDiscovery.BothClaudiaDraxl(HUBerlin)andMatthiasScheffler(MPG-FHI)gaveinvitedtalksattheworkshop:

• “HowFAIRaredatarepositoriesinmaterialsscience?”(Draxl),and• “WhenMoreDataDoNotProvideABetterDescription”(Scheffler).

2.3.3 DPGandEPS2018Meetings

NOMADresearchersorganizedseveralsymposiaandpresentedmorethan50originalcontributionsat the Joint Conferenceof the CondensedMatter Divisions of the European Physical Society (EPS)andtheGermanPhysicalSociety(DPG)2018,thelargestphysicsmeetingtobeorganizedinEuropetodate (http://berlin18.dpg-tagungen.de/). 6,420participants attended the TechnicalUniversity inBerlinfrom11–16March2018.

Thisincludedseveralplenaryandinvitedtalks:

• ClaudiaDraxl(HUBerlin)gaveaplenarytalkwiththetopic,“Asignificantrawmaterialofthe21stcentury”(Figure6).

• Angel Rubio (MPG-MPSD) gave a plenarytalk on “How photons change theproperties of matter: QED-TDDFT an abinitioframeworkformodellingLight-Matterinteraction”.

• Stefano Curtarolo (MPG-FHI) gave aninvitedtalkon“Novelhigh-entropycarbidesdiscovered by synthesizability descriptors”at the “Topical Session on Big Data inMaterialsScience-Managingandexploitingtherawmaterialofthe21stcentury”.

Figure 6: Claudia Draxl, Plenary talk to over 700attendees



• Luca Ghiringhelli (MPG-FHI) gave an invited talk on “Novel materials discovery: big-data-analyticsmethodsand infrastructure forbuildingmapsofmaterials” at theSymposiumon“InformationDrivenMaterialsResearch”.

• AlessandroDeVita(KCL)gaveaninvitedtalkon“Accurateandfastmachinelearningn-bodyforcefields”.

• AliakseiMazheika (MPG-FHI) gave an invited talk on “Carbon Dioxide Activation atMetal-Oxide Surfaces: A Compressed-Sensing Analysis”, which was a Finalist/Nominee for theGerhard-ErtlYoungInvestigatorAward).

Contributedtalksweregivenby:

• SantiagoRigamonti(HUBerlin)“ClusterexpansionswithCELL:anovelpythonpackagewithafocusoncomplexalloys”,

• MartinKuban(HUBerlin)“AbinitiostudyoftheclathrateBa8NixGe46−x−y y:Stability,structure,andelectronicproperties”,and

• LauriHimanen,PatrickRinke,andAdamFoster(AALTO),“High-throughputclassificationandcategorizationofstructuresfromatomisticsimulations”.

Posterpresentationswerealsomadeby:

• Maria Troppenz (HU Berlin) “Cluster expansions with CELL: applications to simple andcomplexalloys”,and

• BenediktHoock(HUBerlin)“Compressed-sensing-basedfeatureselection:definingthebestmodel”.

2.3.4 PASC2018

ThePlatformforAdvancedScientificComputing(PASC)conferencewasheldfrom02–04July2018inBasel,Switzerland.PASCisaninternationalplatformfortheexchangeofcompetencesinscientificcomputingandcomputationalscience,withastrongfocusonmethods,tools,algorithms,applicationchallenges,andnoveltechniquesandusageofhighperformancecomputing.Thefocusofthisyear’sPASCconferencewasFastandBigData,FastandBigComputation.

On03July2018,NOMADCoordinatorMatthiasSchefflerwasoneoffourexperts invitedtodiscussthecriticalchallengesarisinginthenext5-10yearsforHPCapplicationareasatthePanelDiscussionBigDatavs.FastComputation–IsHPCFacingaGameChange?.ThisPanelDiscussionwasinitiatedand moderated by Florina Ciorba and Erik Lindahl and can be found online on YouTube(https://www.youtube.com/watch?v=mTqzCvm0G5c).

Figure7:PASC2018PanellistsEngLimGoh(HewlettPackard),TorstenSchwede(UniversityofBasel),MatthiasScheffler(FritzHaberInstitute)andNuriaLopez(UniversityofBarcelona)



2.3.5 GlobalIoTSummitinBilbao2018

TheGlobalInternetofThingsSummit(GIoTS)isaconferencethatbroughttogetherresearchersandindustry communities active in IoTdomain fromall over theworld and is greatly endorsedby theworld’s largesttechnicalprofessionalorganizationfortheadvancementoftechnology,theInstituteof Electrical and Electronics Engineers (IEEE).NOMADCoordinatorMatthias Scheffler gave theONLYPlenaryKeynoteSpeech,“Making theDataRevolutionHappen-TurningBillionsofDatafromComputationalMaterials Science intoKnowledgeby Artificial Intelligence” at the GIoTS 2018Opening Plenary Session on 05 June 2018. 800participants attended the IoT summit. In theaudience, there were top officials, including theDeputy Minister for Technology, Innovation andCompetitiveness of the Government of theBasque Country and a Delegate Councilor forUrbanPlanningoftheCityCouncilofBilbao.

Matthiasalso spokeat theworkshop“Making theDataRevolutionHappen:MachineLearningandBig Data - Will it help transforming Data into Knowledge?” on 04 June 2018. The goal of theworkshopwastodiscussnewBigDataprocessingandanalyticsapproaches,whichwillberequiredtocreateusefulknowledgefromthemassivedatastreamsgeneratedbybillionsofsmartIoTdevices.

2.4 NOMADEvents&PublicEvents

Over the three-year project, NOMAD has hosted or co-sponsored 29 events, ranging from thehugelypopularhands-onNOMADSummereventsin2017and2018totechnicalworkshopscoveringarangeofkeytopics(e.g.Big-Data-drivenmaterialsdiscovery,machinelearning,opendata,remotevisualization and virtual reality, and more). All events are summarized on the website(https://nomad-coe.eu/the-project/outreach/outreach-workshops-tutorials) and described in detailinD7.5‘Workshops&TutorialsSummary’.

Theteamhasalsoparticipatedinanumberoflargeeventsforthegeneralpublic,includingtheLongNight of Sciences, Berlin (June 2016 and 2017) and theNight of Knowledge, Hamburg (November2017). These public events promoted the importance of computationalmaterials science and EU-fundedresearchinanengagingmannerthroughhands-onvirtual-realitydemonstrationsandpublictalks.Membersof thepublichadtheopportunity toenterandexploreavirtualworldofmaterialsandchemicalreactionsforthemselves(Figure7).

Figure 8: Plenary Keynote Speech by Matthias Schefflerhighlightsthe4thParagdigm inMaterials Science,whereBig-Dataisdrivingnovelmaterialsdiscovery



Figure9:NOMADattheLongNightofSciences,Berlin,June2017

2.5 Videos

The NOMAD team has developed a range of engaging videos, which have been used to widelypromote the project. All videos are available here: https://nomad-coe.eu/the-project/videos. Theyhave also been posted to the MPG-FHI YouTube channel(https://www.youtube.com/channel/UCoPiz8byeKY1X2aBQoMjHXw) to leverage the existingfollowingofmaterialsscientists.

2.5.1 “Explainer”videos

Two“explainer”videoshavebeendevelopedtointroducetheprojecttogeneralaudiencesandtospecialistsnewtothe NOMAD Laboratory CoE. The first video(https://youtu.be/yawM2ThVlGw,Figure8)presentshowNOMAD is a gateway tomaterials sciencedata, showinghowNOMADcouldbeusedby two typicalusers:a solarcell engineer and a chemist developing better batteriesfor electric cars. Viewers learn how both users needbetter materials and how NOMAD provides thecomputationalmaterials science data, services and toolstohelpthemdiscovernewandnovelmaterialstoachievetheiraims.

The second video (https://youtu.be/sI2cPuIGNUU,Figure 9), described in detail in D3.4 ‘ProjectDocumentaryVideo’,providesahigh-leveloverviewofNOMAD using graphical representations of the mainprojectconceptsandshowcasesactualdataproducedby NOMAD researchers. The main goal of the shortvideo is to attract researchers to NOMAD, especially

thoseintheearlystagesoftheirresearchcareers(PhDcandidates,postdoctoralresearchers).

Figure10:NOMADvideo– two typicalNOMADusers.

Figure 11: NOMAD video – showcasing NOMADBig-DataAnalyticstools



2.5.2 AdvancedGraphicsvideos

Seeing helps understanding, so the Advanced Graphics team developed a series of videos to letNOMADusersstepintothemolecularworld(https://nomad-coe.eu/the-project/graphics/vr-videos).The simulations selected give a window into chemical processes that are relevant to globalchallengesandcommercialneeds,suchastheconversionofthegreenhousegascarbondioxideintoother useful chemicals (https://youtu.be/bNKjnonLP0s, Figure 10) or electron-hole excitations aprocess relevant for solar cells (https://youtu.be/XPPDeeP1coM).Videoswerealso created forusewithbasicvirtual-reality (VR)hardware(HTCVive),sothatNOMADuserscouldgainasenseofthepotentialusesofourVRtools(Graphene/boronnitrideheterostructure,Pyridine@zincoxide).

Figure12:CatalyticactivationofcarbondioxideonCaO(001).

2.5.3 Workshop&conferencevideos

VideosweremadeoflecturesgivenatanumberofNOMADeventssothateventhoseunabletojoinin person were able to benefit from the presentations. These videos are enduring educationalresources and broaden the impact of the project events. Playlists on theMPG-FHI channel werecreated to facilitate viewing, andwere shared on the projectwebsite andwidely on socialmediachannels.Thefollowingvideoseriesareavailable:

• NOMADSummer2017,26videos(Sept2017,Figure11):https://www.youtube.com/playlist?list=PLbgFiRV2JFy-1rZ7m9EfAnu2ltL-7_Rj_

• Hands-onWorkshopDensity-FunctionalTheoryandBeyond:Accuracy,EfficiencyandReproducibilityinComputationalMaterialsScience,30videos(July–August2017):https://www.youtube.com/watch?v=Zn-LYyTYv2s&list=PLbgFiRV2JFy-VQ3D6cJjn5jkXmAsjQPiT&index=1

Figure13:NOMADSummer2017–YouTubeplaylist



VideosfromtheInternationalWorkshoponMachineLearningforMaterialsScience2018areinpost-production, and24 videos from the recentNOMADSummer2018are available nowon the eventwebsite (http://meetings.nomad-coe.eu/nomad-summer-2018/index.php?n=Meeting.Program) andwillsoonbepostedtoYouTube.

Inadditiontotheseeventvideos,invitedtalksbytheteamhavealsobeenrecordedatinternationalconferences.Wheretheseareavailable,theyareincludedontheNOMADvideospage.Forexample,wehavepostedClaudiaDraxl’slecturesatIPAMworkshops.

2.6 Newsletters

Five newsletters have been published over the course of the project (April 2017, August 2017,December2017,May2018andNov2018;https://nomad-coe.eu/newsletters).Theyfeaturedallourlatest news from publications & presentations, competitions, hackathons and coding parties,NOMADevents,awards,publications,updatesfromtheArchive,Repository,Encyclopedia,AnalyticsToolkit,AdvancedGraphicsandHPCteams,andmore.

The newsletterswere distributed to amailing list of our industry colleagues, Psi-k’smailing list ofover3,000subscribersinterestedinmaterialsscienceandwidelysharedviasocialmedia.VisitorstothewebsitearealsoofferedtheopportunitytojoinourmailinglistviaaSubscribelink.

Figure14:Newsletter



2.7 Disseminationmaterials

Abroadrangeofdisseminationandpromotionalmaterialshavebeendevelopedfortheproject,andare available on the project website (https://nomad-coe.eu/press-kit/press-kit-promotional-materials),includingvideosandnewslettersdescribedabove.

• Press releases were issued at the project launch, resulting in a feature item on theMPGwebsite and an interview with the NOMAD Coordinator (https://nomad-coe.eu/press-kit/press-kit-press-releases).

• AsdescribedinD7.2‘Disseminationmaterials’,aflyerandbrochureweredevelopedatthestart of the project and made available online. Print copies were made available to allpartners and distributed at events, such as the EuropeanHPC SummitWeek and ISCHighPerformanceHPCevent.

• AnnualreportswerepreparedinadvanceofourmeetingswiththeScientificAdvisoryBoardattheendofyear1and2oftheproject.Publicversionsofthesereportswerepostedtothewebsiteandpromotedonsocialmedia.

• Materials targeting industry were also developed and posted to the website and socialmedia, includinganoverviewpresentationofNOMAD, industryupdatereportsandreportssummarizing our three Industry Meetings (described further in D5.6 ‘Report on NOMADindustryworkshops’).

3 ConclusionTheNOMADLaboratoryCoEhasdevelopeda rangeof toolsandservices tomaximize thevalueofcomputational materials science data generated at HPC centers around the world, and ourdissemination and communication activities have ensured that ourwork has beenwell promoted.TheNOMADConsortiumhasactivelyengagedwithourkeystakeholdersacrossacademia, industryand thegeneralpublic to share the importanceof computationalmaterials scienceandEU-fundedresearch.Animpressivedisseminationandcommunicationportfoliohasbeenassembled,withover45openaccess,peer-reviewedpublications,over215 invitedorplenarypresentations,29NOMADeventsandfivenewsletters.EngagingvideoshavebeendevelopedtobothintroducetheprojectandprovideNOMADuserswithauniquewindowintomaterialsscience.

Documents

The NOMAD (Novel Materials Discovery) Laboratory – a ... · 1 Introduction Dissemination and communications were a collaborative effort of all partners during the project, carried