Browsing by Author Koning, Maurice de

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Showing results 1 to 13 of 13
PreviewIssue DateTitleAuthor(s)AdvisorType
2009First-principles prediction of a metastable crystalline phase of Ga with Cmcm symmetryKoning, Maurice de; Antonelli, Alex; Carvajal Jara, Diego Alejandro-Artigo
2007On the trapping of bjerrum defects in ice Ih: the case of the molecular vacancyKoning, Maurice de; 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
2006Orientational defects in ice Ih: an interpretation of electrical conductivity measurementsKoning, 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
2008Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice IhKoning, Maurice de; Antonelli, Alex-Artigo
2018Uniaxial-deformation behavior of ice I-h as described by the TIP4P/Ice and mW water modelsSantos-Flórez, Pedro Antonio; Ruestes, Carlos J.; Koning, Maurice de-Artigo
2012Dynamics near a liquid-liquid phase transition in a non-tetrahedral liquid: the case of galliumCajahuaringa, Samuel; Koning, Maurice de; Antonelli, Alex-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
2000Efficient free-energy calculations by the simulation of nonequilibrium processesKoning, Maurice de; Cai, Wei; Antonelli, Alex; Yip, Sidney-Artigo
1999Optimized free-energy evaluation using a single reversible-scaling simulationKoning, Maurice de; Antonelli, A.; Yip, Sidney-Artigo
2002Atomistic prediction of equilibrium vacancy concentrations in Ni3AlKoning, Maurice de; Miranda, Caetano R.; Antonelli, Alex-Artigo