多智能体驱动的机器人 AI 化学家实现按需自动化化学研究 A Multiagent-Driven Robotic AI Chemist Enabling Autonomous Chemical Research On Demand

SupportingInformation

AMultiagent-DrivenRoboticAIChemistEnablingAutonomousChemicalResearchOnDemand

TaoSong1,2,†,ManLuo1,†,XiaolongZhang1,†,LinjiangChen1,3,†,*,YanHuang1,JiaqiCao1,QingZhu1,4,DaobinLiu1,BaichengZhang1,GangZou1,GuoqingZhang1,FeiZhang2,*,Weiwei

Shang2,*,YaoFu1,5,*,JunJiang1,6,*,&YiLuo1,6,*

1StateKeyLaboratoryofPrecisionandIntelligentChemistry,HefeiNationalResearchCenterforPhysicalSciencesattheMicroscale,SchoolofChemistryandMaterialsScience,Universityof

ScienceandTechnologyofChina,Hefei230026,China

2SchoolofInformationScienceandTechnology,UniversityofScienceandTechnologyofChina,Hefei230026,China

3SchoolofChemistryandSchoolofComputerScience,UniversityofBirmingham,BirminghamB152TT,U.K.

4InstituteofIntelligentInnovation,HenanAcademyofSciences,Zhengzhou451162,China

5CASKeyLaboratoryofUrbanPollutantConversion,AnhuiProvinceKeyLaboratoryofBiomassChemistry,UniversityofScienceandTechnologyofChina,Hefei230026,China

6HefeiNationalLaboratory,UniversityofScienceandTechnologyofChina,Hefei230026,China

†Theseauthorscontributedequally:T.S.,M.L.,X.Z.,L.C.

*Correspondingauthors.E-mails:linjiangchen@(L.C.);zfei@(F.Z.);wwshang@(W.S.);fuyao@(Y.F.);jiangj1@(J.J.);

yiluo@(Y.L.)

TableofContents

TheAutomatedLab 3

Detailsoftask1:CharacterizingazobenzenemoleculesbyFT-IRspectroscopy 4

Detailsoftask2:SynthesizingmetaloxidesandcharacterizingbyPXRD 5

Detailsoftask3:Synthesizingperovskitequantumdots(PQDs)andcharacterizingby

fluorescencespectroscopy 7

Detailsoftask4:Synthesizinggraphiticcarbonnitrides(g-C3N4)andmeasuring

photocatalytichydrogenproductionbygaschromatography 8

Detailsoftask5:Synthesizingbismuthoxyhalides(BiOX)andmeasuring

photocatalyticdegradationoftetracyclinebyUV-visspectroscopy 9

Detailsoftask6:Synthesizingmetal-organichigh-entropycatalysts(MO-HECs)and

discoveringtheoptimalcomponentsforoxygenevolutionreaction(OER) 10

ExpertrulesfortheProtocolcriticagent 15

ExpertrulesfortheCodecriticagent 15

AblationexperimentsforexpertruleswithinCodecritic 16

Detaileddefinitionsfor20experimentalstations 19

RobotsandstationsoftheAutomatedLab 20

Thehigh-levelAPIfunctionsforrobots 32

AdetailedexampleofChemAgentsinactionfortask6 34

Systemoverview:capabilities,integration,andchallenges 37

Furthertechnicaldetailsoftheroboticsystem 38

Furthertechnicaldiscussionsonthechoice,deployment,andperformanceofLLMs40

Perceptionandmeasurementoftherobots 45

DeployingChemAgentsinaroboticorganicchemistrylab 50

Automatedprotocolsettingforexperimentalinstruments 53

Automateddataprocessingformachinelearning 55

TheAutomatedLab

FigureS1.TheAutomatedLab.(a)Depictionofthetwoexperiment-conductingrobots:afullymobilerobotandabenchtoproboticarm.(b)Examplesofkeyroboticoperationsalongtheautonomousworkflowforsamplesynthesisandelectrochemicaltesting.

Detailsoftask1:CharacterizingazobenzenemoleculesbyFT-IRspectroscopy

FigureS2.TheworkflowofChemAgentsandintermediateresultsontask1.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask1.Task1isdividedintothreesubtasks,eachcorrespondingtoadifferenttypeofmolecule(indicatedbydifferentcolors).Takingsubtask1(azobenzene)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step5)includesadding80μLofsamplesolutionontoaCaF2substrateandwaitingfornaturaldrying.

Detailsoftask2:SynthesizingmetaloxidesandcharacterizingbyPXRD

FigureS3.TheworkflowofChemAgentsandintermediateresultsontask2.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask2.Task2isdividedintosixsubtasks,eachcorrespondingtoadifferenttypeofmetaloxide(indicatedbydifferentcolors).Takingsubtask1(ZrO2)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step10)consistsofaddingthesamplesolutiondropwiseonaquartzsubstrateandwaitingfornaturaldrying.

FigureS4.PXRDpatternsofsixmetaloxideswiththeirstandardPDFcardsshownforcomparison,namely(A)ZrO₂(PDF#80-0965).(B)ZnO(PDF#05-0664).(C)WO₃(PDF#20-1324).(D)Mn₃O₄(PDF#24-0734).(E)CuO(PDF#80-1916)and(F)Fe₂O₃(PDF#89-0598).ThegraphitepeaksonthePXRDpatternsweregeneratedduringthesyntheticprocess,wheregraphenewasusedasacarriertoimpregnatewithmetalchlorideprecursorandthencalcinedtoobtainmetaloxides.

Detailsoftask3:Synthesizingperovskitequantumdots(PQDs)andcharacterizingbyfluorescencespectroscopy

FigureS5.TheworkflowofChemAgentsandintermediateresultsontask3.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask3.Task3isdividedintofoursubtasks,eachcorrespondingtoadifferentparameter(indicatedbydifferentcolors).Takingsubtask1(Parm1:22.4mgCH3NH3Br,36.7mgPdBr2,700mgpolyvinylalcohol)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step8)consistsofaddingthesamplesolutiondropwiseonaquartzsubstrateandwaitingfornaturaldrying.

Detailsoftask4:Synthesizinggraphiticcarbonnitrides(g-C3N4)andmeasuringphotocatalytichydrogenproductionbygaschromatography

FigureS6.TheworkflowofChemAgentsandintermediateresultsontask4.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask4.Task4isdividedintoninesubtasks,eachcorrespondingtoadifferentcombinationofheatingtemperaturesandheatingdurations(indicatedbydifferentcolors).Takingsubtask1(500℃,3hours)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Pre-preparedH2PtCl6solutions,containing3wt.%Pt,wereused.

Detailsoftask5:Synthesizingbismuthoxyhalides(BiOX)andmeasuringphotocatalyticdegradationoftetracyclinebyUV-visspectroscopy

FigureS7.TheworkflowofChemAgentsandintermediateresultsontask5.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask5.Task5isdividedintotwelvesubtasks,eachcorrespondingtoadifferentcombinationofelementsandphotocatalyticdurations(indicatedbydifferentcolors).Takingsubtask1(BiOCl,30minutes)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.

Thetetracyclinewasdissolvedindeionizedwaterinadvancetoformanaqueoussolutionwithaconcentrationof10μgg-1.Subsequently,thepreparedBiOXwasmixedwiththeaqueoussolutionofTC,andthesuspensionwasplacedinthedarkunderconstantstirringfor30mintoreachtheadsorption/desorptionequilibriumbeforeexposuretolight.Photocatalyticdegradationofpollutantswasexecutedusingaphotocatalyticstation.ThedegradationperformanceofBiOXonTCwasobtainedbymeasuringthechangeinintensityofthemaximumabsorptionpeakat358nmusingUV-visspectroscopyandconvertingtheabsorbancetoconcentrationaccordingtotheLambert-Beerlaw.

Detailsoftask6:Synthesizingmetal-organichigh-entropycatalysts(MO-HECs)anddiscoveringtheoptimalcomponentsforoxygenevolutionreaction(OER)

FigureS8.TheworkflowofChemAgentsandintermediateresultsontask6.TaskManagerreceivestheinputprompt(top)anddrivesLiteratureReader,ExperimentDesigner,RobotOperatorandComputationPerformertocompleteTask6.Takingsubtask1(Co:Ni:Fe:Mn:Cu=0.32:0.26:0.15:0.15:0.12)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.

Initially,dissolvethecorrespondingdivalentmetalacetates(chemicalformulaM(CH3COO)2)inDMFtoformprecursorsolutionswiththesamemolarconcentrationof50mmol/L.Finally,add5mLofDMFsolutioncontaining100mmol/Lterephthalicacid(i.e.,benzene-1,4-dicarboxylicacid).Thepreparedcatalystwasdispersedin8mLofmixedsolution(isopropylalcohol(7.8mL)and5wt%Nafion(0.2mL))topreparethecatalystink.Thesamplepreparationstep(step12)consistsoftreatmentonthemagneticstirringstationfor3minutesat500rpm,thecatalystink(200μL)wasdroppedontothesurfaceofthecarbonpaper(CP)withafixedworkingareaofca.1.5cm2anddriednaturally.

Allelectrochemicalmeasurementswereperformedontheelectrocatalyticstation(CHI-760E,CHInstrument)inastandardthree-electrodesystem,withhigh-entropymetal-organiccompoundcatalystonCPastheworkingelectrode,graphiterods(φ=5mm)asthecounterelectrode,andAg/AgClinsaturatedKClsolutionasthereferenceelectrode.OERtestswereperformedin1MKOHsolutionwiththeappliedvoltageconvertedtothereversiblehydrogenelectrode(RHE)followingtheequation:ERHE=EAg/AgCl+0.0592×pH+0.197Vtounifythepotentialwindow.Alltestresultsweredisplayedasrawresultswithoutanyfurtherprocessing(i.e.noiRcorrection).

FigureS9.Dataminingresultsrelatedtotask6.DuetothelimitationofPtbeingapreciousmetal,the5recommendedmetalsforLiteratureReaderareCo,Ni,Fe,Mn,andCu.

TableS1.100setsofroboticexperimentaldatafortask6.

Catalyst

No.

Elementalcomposition(%)

OverPotential@10.0mA/c

m2

(Vvs.RHE)

η10

(mV)

Co

Ni

Fe

Mn

Cu

1

0.32

0.26

0.15

0.15

0.12

1.5287

298.7

2

0.24

0.21

0.29

0.05

0.21

1.5299

299.9

3

0.27

0.07

0.1

0.21

0.35

1.5313

301.3

4

0.2

0.21

0.23

0.31

0.05

1.5315

301.5

5

0.08

0.23

0.22

0.17

0.3

1.5315

301.5

6

0.28

0.12

0.19

0.23

0.18

1.5318

301.8

7

0.29

0.14

0.28

0.21

0.08

1.5322

302.2

8

0.34

0.1

0.06

0.21

0.29

1.5328

302.8

9

0.1

0.31

0.32

0.13

0.14

1.5341

304.1

10

0.05

0.35

0.26

0.18

0.16

1.5351

305.1

11

0.1

0.33

0.22

0.1

0.25

1.5352

305.2

12

0.32

0.34

0.19

0.09

0.06

1.5355

305.5

13

0.3

0.07

0.33

0.07

0.23

1.5357

305.7

14

0.19

0.21

0.22

0.16

0.22

1.5358

305.8

15

0.21

0.16

0.26

0.19

0.18

1.5362

306.2

16

0.09

0.21

0.3

0.3

0.1

1.537

307

17

0.19

0.27

0.3

0.09

0.15

1.5381

308.1

18

0.09

0.28

0.31

0.13

0.19

1.539

309

19

0.33

0.13

0.14

0.16

0.24

1.5393

309.3

20

0.31

0.07

0.29

0.25

0.08

1.5398

309.8

21

0.07

0.23

0.19

0.23

0.28

1.5399

309.9

22

0.18

0.33

0.2

0.2

0.09

1.5406

310.6

23

0.18

0.08

0.29

0.35

0.1

1.5408

310.8

24

0.28

0.16

0.26

0.18

0.12

1.5411

311.1

25

0.05

0.31

0.2

0.23

0.21

1.5421

312.1

26

0.09

0.33

0.09

0.27

0.22

1.543

313

27

0.35

0.09

0.17

0.2

0.19

1.5433

313.3

28

0.34

0.06

0.33

0.15

0.12

1.5439

313.9

29

0.19

0.26

0.1

0.27

0.18

1.5446

314.6

30

0.09

0.34

0.33

0.17

0.07

1.5451

315.1

31

0.21

0.13

0.31

0.19

0.16

1.5452

315.2

32

0.19

0.05

0.3

0.27

0.19

1.5454

315.4

33

0.24

0.08

0.3

0.12

0.26

1.546

316

34

0.17

0.31

0.19

0.2

0.13

1.5462

316.2

35

0.16

0.08

0.29

0.3

0.17

1.547

317

36

0.18

0.15

0.22

0.1

0.35

1.547

317

37

0.15

0.1

0.28

0.28

0.19

1.5473

317.3

38

0.26

0.09

0.17

0.17

0.31

1.5475

317.5

39

0.23

0.34

0.29

0.06

0.08

1.5479

317.9

40

0.32

0.31

0.05

0.25

0.07

1.548

318

41

0.11

0.18

0.34

0.12

0.25

1.5489

318.9

42

0.14

0.18

0.29

0.2

0.19

1.5496

319.6

43

0.06

0.27

0.26

0.16

0.25

1.5511

321.1

44

0.31

0.06

0.07

0.35

0.21

1.5513

321.3

45

0.29

0.15

0.11

0.25

0.2

1.5521

322.1

46

0.07

0.31

0.33

0.24

0.05

1.5531

323.1

47

0.11

0.1

0.27

0.35

0.17

1.5536

323.6

48

0.33

0.13

0.11

0.24

0.19

1.5536

323.6

49

0.22

0.18

0.13

0.29

0.18

1.5545

324.5

50

0.32

0.14

0.17

0.17

0.2

1.555

325

51

0.35

0.17

0.08

0.2

0.2

1.5553

325.3

52

0.15

0.21

0.26

0.12

0.26

1.5558

325.8

53

0.08

0.26

0.29

0.2

0.17

1.5561

326.1

54

0.32

0.1

0.08

0.26

0.24

1.5568

326.8

55

0.33

0.08

0.07

0.28

0.24

1.5572

327.2

56

0.15

0.35

0.12

0.2

0.18

1.5577

327.7

57

0.18

0.06

0.35

0.08

0.33

1.5578

327.8

58

0.17

0.33

0.34

0.06

0.1

1.5579

327.9

59

0.17

0.18

0.35

0.24

0.06

1.558

328

60

0.15

0.23

0.19

0.09

0.34

1.5584

328.4

61

0.13

0.24

0.27

0.15

0.21

1.5587

328.7

62

0.17

0.12

0.15

0.33

0.23

1.5587

328.7

63

0.28

0.14

0.25

0.05

0.28

1.5601

330.1

64

0.13

0.12

0.16

0.35

0.24

1.5601

330.1

65

0.06

0.12

0.34

0.35

0.13

1.5607

330.7

66

0.33

0.1

0.05

0.24

0.28

1.5615

331.5

67

0.22

0.3

0.12

0.25

0.11

1.5621

332.1

68

0.25

0.11

0.2

0.14

0.3

1.5621

332.1

69

0.05

0.34

0.26

0.17

0.18

1.5634

333.4

70

0.24

0.07

0.25

0.3

0.14

1.564

334

71

0.17

0.06

0.21

0.21

0.35

1.5649

334.9

72

0.21

0.19

0.17

0.33

0.1

1.5656

335.6

73

0.16

0.26

0.31

0.05

0.22

1.5663

336.3

74

0.13

0.19

0.33

0.17

0.18

1.567

337

75

0.05

0.08

0.18

0.35

0.34

1.5672

337.2

76

0.15

0.12

0.27

0.11

0.35

1.5689

338.9

77

0.35

0.08

0.05

0.35

0.17

1.569

339

78

0.34

0.1

0.26

0.13

0.17

1.5695

339.5

79

0.08

0.23

0.22

0.19

0.28

1.5695

339.5

80

0.1

0.23

0.31

0.21

0.15

1.5696

339.6

81

0.25

0.08

0.11

0.29

0.27

1.5704

340.4

82

0.14

0.23

0.07

0.33

0.23

1.5709

340.9

83

0.34

0.19

0.06

0.17

0.24

1.5734

343.4

84

0.09

0.22

0.35

0.17

0.17

1.5741

344.1

85

0.11

0.06

0.27

0.35

0.21

1.5758

345.8

86

0.1

0.11

0.23

0.23

0.33

1.5779

347.9

87

0.23

0.05

0.33

0.08

0.31

1.578

348

88

0.05

0.29

0.05

0.26

0.35

1.5785

348.5

89

0.05

0.1

0.26

0.27

0.32

1.5789

348.9

90

0.14

0.16

0.25

0.34

0.11

1.5807

350.7

91

0.16

0.13

0.32

0.32

0.07

1.5809

350.9

92

0.2

0.08

0.21

0.17

0.34

1.5829

352.9

93

0.13

0.32

0.12

0.18

0.25

1.5848

354.8

94

0.32

0.14

0.21

0.23

0.1

1.5861

356.1

95

0.16

0.29

0.05

0.15

0.35

1.5868

356.8

96

0.09

0.27

0.35

0.07

0.22

1.5891

359.1

97

0.08

0.09

0.18

0.34

0.31

1.5902

360.2

98

0.12

0.15

0.14

0.28

0.31

1.6023

372.3

99

0.06

0.33

0.05

0.23

0.33

1.6063

376.3

100

0.07

0.28

0.07

0.26

0.32

1.612

382

TableS2.Bayesianoptimizedexperimentaldatafortask6.

Catalyst

No.

Elementalcomposition(%)

OverPotential@10.0mA/c

m2

(Vvs.RHE)

η10

(mV)

Co

Ni

Fe

Mn

Cu

1

30.81

34.35

16.44

8.64

9.77

1.4961

266.1

vo,tage(vvs.RHE)

2.0

1.6

va,,agechange=1.87%

1.2

chronopotentiometrytest@10mA/cm2

0.8

0.4

0.0

0100200300400500

Time(h)

FigureS10.DurabilitytestsoftheMO-HECbyusingchronoamperometrymeasurementsatcurrentdensitiesof10mAcm-2inKOHsolution,showinglessthana2%reductioninperformanceover500hoursofcontinuousoperation.

ExpertrulesfortheProtocolcriticagent

Thespecificpresetprompts(forexpertrules)areasfollows:

#Reflectiononexpertrules

Pleasechecktheprocedureaccordingtothefollowingexpertrules:

1.Thefirststepintheproceduremustbe'Retrievetherackfromthesamplerackstation.'.

2.Thefinalstepinthetemplatemustbe'Placetherackintothesamplerackstation.'.

3.Themaximumvolumeofsamplebottlesintheprocessis20g;pleaseensureallexperimentalparametersdonotexceedthisvolumeafteraddingsamples.

4.Experimentalparametersatthesolidstationandliquidstationmustbeintheunitofmass(grams).

5.Thestationprecedingthegaschromatographystationmustbetheencapsulationstation.

6.Beforeusingtheelectrocatalyticstation,ensurethereisliquidinthetestbottle.

7.BeforeusingtheUV-visspectroscopystation,ensurethereisliquidinthetestbottle.

ExpertrulesfortheCodecriticagent

Thespecificpresetprompts(forexpertrules)areasfollows:

#Reflectiononexpertrules

Pleasecheckthecodeaccordingtothefollowingexpertrules:

1.Movementandvisualpositioningmustbeperformedbeforeoperatingatadifferentstation.

2.Once'locate()'iscalled,thepreviousmanipulationposeobtainedby'locate()'willbecomeinvalid.

3.Ifthestationsoperatedinadjacentstepsarethesame,onlymovementandvisualpositioningneedtobeperformedatthefirsttime,andthefollowingstepsdonotneedtobeperformed.

4.Onlysolid,liquid,centrifugeandencapsulationstationsrequiretheplacementofbottles;otherstationsshouldplacesampleracksdirectlyasrequired.

5.Eachsamplerackholds10bottles,andeachsynthesisexperimentcorrespondstoaspecificbottle.Pleasedonotchangethebottlenumberstoavoiderrors.BecautiouswhencallingAPIsthatrequirespecifyingbottlenumbers,asthenumberingstartsfrom0.

6.Sampleracknumbersalsostartfrom0.Eachsynthesisexperimentcorrespondstoabottleinaspecificsamplerack.Ensuretheconsistencyofsampleracknumbersthroughouttheprogramtoavoiderrors.

7.Experimentalparametersatthesolidandliquidsamplingstationsmustbeinmassunits(grams).

8.Timeparametersatallstationsmustbeinseconds.

9.Thetimeittakestocallthe'wait()'functionissignificantlylongerthancallingotherfunctions.However,youstillneedtocall'wait()'wherenecessaryaccordingtothelimitations.

10.Theliquidstationhasacapacityof10channels.Duringadjacentliquiddispensingoperations,onlythefirsttimeabottleneedstobeplaced,andsubsequentinstrumentcommunicationisrequiredtochangetheliquidtypeandcontinuedispensing,andfinallytakethebottle.

AblationexperimentsforexpertruleswithinCodecritic

Foranotherexperimenton[dodecanethiol-capped3.5-nmAunanoparticles]intheProtocolLibrary,theresultsofsomeablationexperimentsforexpertruleswithinCodeCriticareasfollows:

WhenRuleNo.3oftheexpertruleswasnotinputasapresetprompttothelargelanguagemodel,itrepeatedthemovementandvisualpositioningoperationsintheadjacenttwochemicalliquiddispensingsteps(Block4andBlock5).

#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")

locate("samplerackstation")

take_rack(0,"samplerackstation")

#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")

locate("solidstation")

put_bottle(0,0,"solidstation")

command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})

wait("solidstation")

take_bottle(0,0,"solidstation")

#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solution

move("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block5:Usetheliquidstationtoadd0.1056gdodecylmercaptan

move("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block6:Usethemagneticstirringstationmove("magneticstirringstation")

locate("magneticstirringstation")

put_rack(0,"magneticstirringstation")

command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")

take_rack(0,"magneticstirringstation")

#Block7:Placetherackintothesamplerackstationmove("samplerackstation")

locate("samplerackstation")

put_rack(0,"samplerackstation")

WhenRuleNo.10oftheexpertruleswasnotinputasapresetprompttothelargelanguagemodel,itmadeanunnecessaryrepetitionofputtingandtakingthebottleintwoadjacentchemicalliquiddispensingsteps(Block4andBlock5).

#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")

locate("samplerackstation")

take_rack(0,"samplerackstation")

#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")

locate("solidstation")

put_bottle(0,0,"solidstation")

command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})

wait("solidstation")

take_bottle(0,0,"solidstation")

#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solution

move("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block5:Usetheliquidstationtoadd0.1056gdodecylmercaptan

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block6:Usethemagneticstirringstationmove("magneticstirringstation")

locate("magneticstirringstation")

put_rack(0,"magneticstirringstation")

command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")

take_rack(0,"magneticstirringstation")

#Block7:Placetherackintothesamplerackstationmove("samplerackstation")

locate("samplerackstation")

put_rack(0,"samplerackstation")

Byinputtingcompleteexpertrules,thetwoadjacentchemicalliquiddispensingstepsweremergedintoone,greatlyoptimizingandimprovingtheresults(Block4).

#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")

locate("samplerackstation")

take_rack(0,"samplerackstation")

#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")

locate("solidstation")

put_bottle(0,0,"solidstation")

command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})

wait("solidstation")

take_bottle(0,0,"solidstation")

#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solutionand0.1056gdodecylmercaptan

move("liquidstation")

locate("liquidstation")

put_bottle(0,0,"liquidstation")

command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})

wait("liquidstation")

command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})

wait("liquidstation")

take_bottle(0,0,"liquidstation")

#Block5:Usethemagneticstirringstationmove("magneticstirringstation")

locate("magneticstirringstation")

put_rack(0,"magneticstirringstation")

command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")

take_rack(0,"magneticstirringstation")

#Block6:Placetherackintothesamplerackstationmove("samplerackstation")

locate("samplerackstation")

put_rack(0,"samplerackstation")

Detaileddefinitionsfor20experimentalstations

TableS3.Detaileddefinitionsfor20experimentalstations.

1.Samplerackstation:Forretrievingandreturningsampleracks.

2.Liquidstation:Foraddingpre-configuredliquidreagents(tendifferentreagentscanbeplacedatthesametime).Parametersthatcanbesetaremass(g)andthetypeofliquid.

3.Solidstation:Foraddingpre-filledsolidreagents.Parametersthatcanbesetaremass(g)andthetypeofsolid.

4.Magneticstirringstation:Formixingandstirringdifferentreagents(heatingpermitted)toobtainhomogeneoussolutionsorsampledispersions.Parametersthatcanbesetaretime(s),temperature(℃)andangularvelocity(rpm).

5.Centrifugestation:Forseparatingmixturesofliquidsandsolidparticles.Parametersthatcanbesetaretime(s)andangularvelocity(rpm).

6.Calcinationstation:Forcalciningandheatingsamples.Parametersthatcanbesetaretime(s),temperature(℃)andheatingrate(℃/min).

7.Aspirationstation:Foraspiratingthewasteliquidabovethesampleaftercentrifugation.

8.Dryingstation:Fordryingsamples.Parametersthatcanbesetaretime(s)andtemperature(℃).

9.Ultrasonicstation:Forcrushingsolidsamplesoracceleratingsampledissolution.Theparameterthatcanbesetisthetime(s).

10.Encapsulationstation:Forencapsulatingreactionvesselsundervacuum.

11.Photocatalyticstation:Forcarryingoutlightirradiationwithsimultaneousagitation.Theparameterthatcanbesetisthetime(s).

12.Gaschromatographystation:Formeasuringthegasproductionofreactionsystems.

13.Samplepreparationstation:Forpreparingsamplesforcharacterizationormeasurement.Specificproceduresdependonthetypeofsample.Theparameterthatcanbesetisthetypeofsample.

14.Ramanspectroscopystation:FormeasuringRamanspectraofsamples.

15.Infraredspectroscopystation:FormeasuringtheFT-IRspectraofsamples.

16.UV-visspectroscopystation:FormeasuringtheabsorptionofUV-vislightofsamples.

17.Fluorescencespectroscopystation:Formeasuringthefluorescencespectrumofsamples.

18.PXRDstation:Fordeterminingthephasecompositionofsamples.

19.LIBSstation:Formeasuringtheconcentrationofmajorandtraceelementsinsolid,liquid,orairsamples.

20.Electrocatalyticstation:Forperformingelectrocatalytictestsbyathree-electrodesystem.

RobotsandstationsoftheAutomatedLab

TheAutomatedLabintegratestworobotsand20automatedstationsandabackendcontrolsystemforallthehardware.Wehavetworobots:amobilerobotandabenchtoprobot.Themobilerobotiscapableoffreelymovingwithinthelaboratory,transportingsamples,andperformingexperimentalmanipulations.Primarily,themobilerobothandlestasksinvolvinginstrumentsarrangedaroundthelaboratory.Itisresponsibleforconductinghigh-throughputsynthesisexperiments.Thebenchtoprobotisplacedonacentralplatforminthelaboratoryandmoveslaterallyusingtracks.Theplatformcentrallyhou