Browsing by Author Antonelli, Alex

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PreviewIssue DateTitleAuthor(s)AdvisorType
2013Revisiting Dynamics Near A Liquid-liquid Phase Transition In Si And Ga: The Fragile-to-strong Transition.Cajahuaringa, Samuel; de Koning, Maurice; Antonelli, Alex-Artigo de periódico
2006Thermodynamics of type-I and type-II Si clathrates at zero pressure: Monte Carlo simulationsMiranda, Caetano R.; Antonelli, Alex-Artigo
2006Orientational defects in ice Ih: an interpretation of electrical conductivity measurementsKoning, Maurice de; Antonelli, Alex; Silva, Antonio J. R. da; Fazzio, A.-Artigo
2007On the trapping of bjerrum defects in ice Ih: the case of the molecular vacancyKoning, Maurice de; Antonelli, Alex-Artigo
2004Stabilization of substitutional Mn in silicon-based semiconductorsSilva, Antônio J. R. da; Fazzio, A.; Antonelli, Alex-Artigo
2006Structure and energetics of molecular point defects in ice IhKoning, Maurice de; Antonelli, Alex; Silva, Antonio J. R. da; Fazzio, A.-Artigo
2009Theoretical evidence for a first-order liquid-liquid phase transition in galliumCarvajal Jara, Diego Alejandro; Michelon, Mateus Fontana; Antonelli, Alex; Koning, Maurice de-Artigo
2007Divacancies in graphene and carbono nanotubesAmorim, Rodrigo G.; Fazzio, A.; Antonelli, Alex; Novaes, Frederico D.; Silva, Antônio J. R. da-Artigo
2008Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice IhKoning, Maurice de; Antonelli, Alex-Artigo
2001Dopant interaction with a dislocation in silicon: local and non-local effectsAntonelli, Alex; Justo, Joao F.; Fazzio, A.-Artigo
2004Transitions between disordered phases in supercooled liquid siliconMiranda, Caetano R.; Antonelli, Alex-Artigo
2002Atomistic prediction of equilibrium vacancy concentrations in Ni3AlKoning, Maurice de; Miranda, Caetano R.; Antonelli, Alex-Artigo
2018Stochastic sampling of the isothermal-isobaric ensemble: phase diagram of crystalline solids from molecular dynamics simulationCajahuaringa, Samuel; Antonelli, Alex-Artigo
2018Quasiparticle bands and optical properties of SnSe from an ab initio approachMeléndez, Juan J.; González-Romero, Robert L.; Antonelli, Alex-Artigo
2009First-principles prediction of a metastable crystalline phase of Ga with Cmcm symmetryKoning, Maurice de; Antonelli, Alex; Carvajal Jara, Diego Alejandro-Artigo
2018Ultralow and anisotropic thermal conductivity in semiconductor As2Se3Gonzalez-Romero, Robert L.; Antonelli, Alex; Chaves, Anderson S.; Melendez, Juan J.-Artigo
2016Hosting Of La3+ Guest Ions In Type-i Ge Clathrates: A First-principles Characterization For Thermoelectric ApplicationsGonzález-Romero, Robert L.; Miranda, Caetano R.; Avila, Marcos A.; Antonelli, Alex-Artigo
2000Efficient free-energy calculations by the simulation of nonequilibrium processesKoning, Maurice de; Cai, Wei; Antonelli, Alex; Yip, Sidney-Artigo
2001Single-simulation determination of phase boundaries: a dynamic Clausius–Clapeyron integration methodKoning, Maurice de; Antonelli, Alex; Yip, Sidney-Artigo
2016On The Nature Of The Solvated Electron In Ice I-hKoning, Maurice de; Fazzio, Adalberto; Silva, Antônio José Roque da; Antonelli, Alex-Artigo