2022+AI4S全球发展观察与展望

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LhbAIMSGLOBALaUTLOaKLhb2022EDITIONEnergy&FuelsExploringtheChemicalSpaceofLinearAlkanePyrolysisviaDeepPotentialGENeratorZengJ,ZhangL,WangH,et/10.1021/acs.energyfuels.OcOS211PhysicalChemistryChemicalPhysicsbinitioneuralnetworkMDsimulationofthermaldecompositionofahighenergymaterialCL-20/TNTCaoL,ZengJ,WangB,et/10.1059/D2CP00710JComputationalMaterialsScienceMoleculardynamicssimulationsoflanthanumchloridebydeeplearningpotential!FengT,ZhaoJ,LiangW,et/10.1016/matsci.2021.111014ChemPhysChemExploringtheEffectsofIonicDefectsontheYangW,LiJ,ChenX,2022/10.1002/cpStabilityofCsPblSwithaDeepLearningPotentialetal.hc.202100841PhysicsofPlasmasWarmdensemattersimulationviaelectrontemperaturedependentdeeppotentialmoleculardynamicsZhangY,GaoC,LiuQ,et/10.1065/5.0025265TheoreticalandComputationalChemistryGrowthofPolycyclicAromaticHydrocarbonandWangB,ZengJ,Cao202210.26454/chemrxivSootInceptionbyinsilicoSimulationL,etal.-2022-qp8fcEnergyandAlMachinelearningforcombustionZhouL,SongY,JiW,et/10.1016/j.egyai.2021.100128EnergyandAlNanotwinninginduceddecreasedlatticethermalconductivityofhightemperaturethermoelectricXiaonaHuang,Y/10.1016/j.egboronsubphosphide(B12P2)fromdeeplearningpotentialsimulationsShen,QiAnyai.2022.100155.PhysicsReviewbAccurateforcefieldoftwo-dimensionalferroelectricsfromdeeplearningWu,JingLiu,Shietal.202110.1105/PhysRevB.104.174107ProteomicsDeepFunc:ADeepLearningFrameworkforAccuratePredictionofProteinFunctionsfromProteinSequencesandInteractions.Zhang,F.,Song,H.,Zeng,M.,Li,Y.,Kurgan,L.,&Li,M.2019/10.1002/pmic.201900019ChemRxivUni-Mol:AUniversal3DMolecularRepresentationLearningFrameworkZhouG,GaoZ,DingQ,etal.2022D0l:10.26454/chemrxiv-2022-jjm0jJournalofControlledReleaseComputationalpharmaceutics-AnewparadigmofdrugdeliveryWangW,YeZ,GaoH,etal.2021DOI:10.1016/j.jconrel.2021.08.050CommunicationsoftheACMArtificialintelligenceforsyntheticbiology.MohammedEslami,AaronAdler,RajmondaS.et/10.1145/5500922

LhbAIMSGLOBALaUTLOaKLhb2022EDITIONProcNatlAcadSciUSAEvolutionarilyinformeddeeplearningmethodsforWashbumJD,Mejia-/10.1075/pnpredictingrelativetranscriptabundancefrom GuerraMK,Ramst