Speaker:Prof.J.CarreteLITEN,CEA-Grenoble,France

Place:FIST,A,2WestBuilding,

QujiangCampus

Time:2:00pm,August9th,简介：J.Carrete博士，年出生于西班牙加里西亚，分别于、和在圣地亚哥德孔波大学获得学士、硕士和博士学位。-年在法国原子能委员会从事博士后研究，是著名第一原理声子计算软件包ShengBTE的开发者。年Carrete博士作为SeniorScientist入职奥地利维也纳技术大学。Carrete博士是声子计算领域的专家，著有专著4部，共发表SCI论文54篇，包括AFM、NatureComm、NPGAM、JACS、PRX等JCR一区期刊论文，SCI引用约次，H因子16。摘要：Informationaboutphononspectraisoftenaprerequisiteforfurtherstudyofcrystallinesolids.Morespecifically,thesuitabilityofamaterialformanyenergy-relatedapplicationsmayhingeonthevaluesofphonon-relatedproperties.Itisthereforedesirabletoworktowardsefficientandreliableautomatedwaystoexplorethelatticedynamicsofcrystalsaspartofthecurrentefforttobuildmaterialsdatabasesusinghigh-throughputworkflows.Thispresentationwillexplorethecurrentstateofphononcalculationsinthecontextofhigh-throughputmaterialsdiscovery.Aparticularfocuswillbelaidonissuesrelatedtolatticethermalconduction.Examplestudiesfromtheliteraturewillserveasaguidetothepossibilitiesandobstaclestobefound.Anumberofeffortscurrentlyunderwaytoexpandthereachofhigh-throughputphononcalculationswillbeintroducedinconnectionwithfinite-temperaturelatticedynamics,2DsystemsanddefectivestructuresThefinalpartofthe







































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