The Gaussian Approximation Potential - An Interatomic Potential Derived from First Principles Quantum Mechanics (2010)

The Gaussian Approximation Potential - An Interatomic Potential Derived from First Principles Quantum Mechanics (2010)

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时间:2019-02-21

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1、SpringerThesesRecognizingOutstandingPh.D.ResearchForfurthervolumes:http://www.springer.com/series/8790AimsandScopeTheseriesSpringerThesesbringstogetheraselectionoftheverybestPh.D.thesesfromaroundtheworldandacrossthephysicalsciences.Nominatedandendors

2、edbytworecognizedspecialists,eachpublishedvolumehasbeenselectedforitsscientificexcellenceandthehighimpactofitscontentsforthepertinentfieldofresearch.Forgreateraccessibilitytonon-specialists,thepublishedversionsincludeanextendedintroduction,aswellasafor

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4、,itprovidesanaccrediteddocumentationofthevaluablecontributionsmadebytodaysyoungergenerationofscientists.Thesesareacceptedintotheseriesbyinvitednominationonlyandmustfulfillallofthefollowingcriteria.•TheymustbewritteningoodEnglish.•Thetopicofshouldfallw

5、ithintheconfinesofChemistry,PhysicsandrelatedinterdisciplinaryfieldssuchasMaterials,Nanoscience,ChemicalEngineering,ComplexSystemsandBiophysics.•Theworkreportedinthethesismustrepresentasignificantscientificadvance.•Ifthethesisincludespreviouslypublishedm

6、aterial,permissiontoreproducethismustbegainedfromtherespectivecopyrightholder.•Theymusthavebeenexaminedandpassedduringthe12monthspriortonomination.•Eachthesisshouldincludeaforewordbythesupervisoroutliningthesignifi-canceofitscontent.•Thethesesshouldha

7、veaclearlydefinedstructureincludinganintroductionaccessibletoscientistsnotexpertinthatparticularfield.AlbertBartók-PártayTheGaussianApproximationPotentialAnInteratomicPotentialDerivedfromFirstPrinciplesQuantumMechanicsDoctoralThesisacceptedbyUniversity

8、ofCambridge,UK123AuthorSupervisorAlbertBartók-PártayProf.MikePayneCavendishLaboratory,TCMGroupCavendishLaboratory,HeadofTCMGroupUniversityofCambridgeUniversityofCambridge19,JJThomsonAvenue19,JJThomsonAvenueCB30HECambridge,UKCB30HECambridge,UKab686@ca

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