High-entropy and Disordered Materials

Tuesday, May 30, 2023
P - Computations for materials – discovery, design and the role of data P06 1:30 PM > 4:00 PM High-entropy and Disordered Materials Londres 2 (Ground floor) P - Computations for materials – discovery, design and the role of data

1:30 PM 2359 Alchemical machine learning for high-entropy alloys > M. Michele CERIOTTI (Lausanne) 2:15 PM 549 Effects of disorder in the electronic properties of monolayers and nanoribbons MoS2 > P. Pauline CASTENETTO (Namur) 2:30 PM 961 High-Entropy Alloys for Catalyst Discovery > C. Christian Møgelberg CLAUSEN (Copenhagen) 3:00 PM 2703 ULtrahigh TEmperature Refractory Alloys (ULTERA) Database and Data Quality Assurance > A. Adam KRAJEWSKI (University Park) 3:15 PM 1898 Materials for quantum computing : Magnetic impurities embedded in superconductors from first principles > D. David ANTOGNINI SILVA (Jülich) 3:30 PM 2247 Ab-initio simulations in HfNbTiVZr high-entropy alloy: electronic structure and defects > L. Luis CASILLAS TRUJILLO (Linkoping) 3:45 PM 2349 Vacancy-ordered double perovskites Cs2BI6 (B = Pt, Pd, Te, Sn): an emerging class of thermoelectric materials > P. Preeti BHUMLA (Delhi)

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