FromComputationalSciencetoScienceDiscovery:The NextComputingLandscape GiladShainer,BrianSparks,ScotSchultz,EricLantz,WilliamLiu,TongLiu,GoldiMisra HPCAdvisoryCouncil {Gilad,Brian,Scot,Eric,William,Tong,
[email protected]} Computationalscienceisthefieldofstudyconcernedwithconstructingmathematicalmodelsand numericaltechniquesthatrepresentscientific,socialscientificorengineeringproblemsandemploying thesemodelsoncomputers,orclustersofcomputerstoanalyze,exploreorsolvethesemodels. Numericalsimulationenablesthestudyofcomplexphenomenathatwouldbetooexpensiveor dangeroustostudybydirectexperimentation.Thequestforeverhigherlevelsofdetailandrealismin suchsimulationsrequiresenormouscomputationalcapacity,andhasprovidedtheimpetusfor breakthroughsincomputeralgorithmsandarchitectures.Duetotheseadvances,computational scientistsandengineerscannowsolvelargeͲscaleproblemsthatwereoncethoughtintractableby creatingtherelatedmodelsandsimulatethemviahighͲperformancecomputeclustersor supercomputers.Simulationisbeingusedasanintegralpartofthemanufacturing,designanddecisionͲ makingprocesses,andasafundamentaltoolforscientificresearch.ProblemswherehighͲperformance simulationplayapivotalroleincludeforexampleweatherandclimateprediction,nuclearandenergy research,simulationanddesignofvehiclesandaircrafts,electronicdesignautomation,astrophysics, quantummechanics,biology,computationalchemistryandmore. Computationalscienceiscommonlyconsideredthethirdmodeofscience,wherethepreviousmodesor paradigmswereexperimentation/observationandtheory.Inthepast,sciencewasperformedby