Evgeny Blokhin
Materials Platform for Data Science
16 papers found
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OPTIMADE, an API for exchanging materials data
Download from www.nature.comOPTIMADE, an API for exchanging materials data
UploadTheoretical modeling of antiferrodistortive phase transition forSrTiO3ultrathin films
Download from www.researchgate.netTheoretical modeling of the complexes of iron impurities and oxygen vacancies in SrTiO3
Download from www.researchgate.netJahn-Teller effect in the phonon properties of defective SrTiO3from first principles
Download from www.researchgate.netA comparative hybrid DFT study of phonons in several SrTiO3 phases
Download from www.researchgate.netHybrid HF-DFT Modelling of Water Adsorption on (001) Surface of Orthorhombic and Cubic SrHfO3
Download from www.researchgate.netSurface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures
Download from www.researchgate.netSurface relaxation and tilting in SrHfO3 orthorhombic perovskite: Hybrid HF-DFT LCAO calculations
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