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Expertise Theoretical condensed matter physics: theory and simulations of structural, electronic, magnetic and optical properties (Quantum ESPRESSO), ab-initio molecular dynamics (CP2K), and Kinetic Monte Carlo codes; automate Quantum ESPRESSO workflows and high-throughput calculations (AFLOWÏ€); generation of tight-binding hamiltonians, transport properties, and data analysis (PAOFLOW).Materials for photovoltaic: Pb- and Sn-based organic perovskites; investigation and improvement of the HTL-ETL interaction and contact via organic/inorganic molecules.2-dimensional materials: electronic and structural properties of graphene on metallic surfaces; development of mathematical models for the identification of simulation's cells in 2D stacked materials systems and 2D materials over substrates.Thermoelectric materials: investigation and prediction of electronic and lattice transport properties for high-performing thermoelectric materials with a particular focus on the aikinite (PbCuBiS3) e kuramite (Cu3SnS4) families.Topological materials: topological materials originated by translational symmetry breaking (HgTe-CdTe junctions); Weyl semimetals with time-reversal symmetry breaking (SrM1−xZnxSb alloys); properties of single-crystal kagomé metal CoSn.Quantum computing: development and application of optimization methods for routing and condensed matter problems on D-Wave quantum annealers. Development of new methods for condensed matter stability problems, order-disorder transitions on quantum annealers. Expertise Theoretical condensed matter physics: theory and simulations of structural, electronic, magnetic and optical properties (Quantum ESPRESSO), ab-initio molecular dynamics (CP2K), and Kinetic Monte Carlo codes; automate Quantum ESPRESSO workflows and high-throughput calculations (AFLOWÏ€); generation of tight-binding hamiltonians, transport properties, and data analysis (PAOFLOW).Materials for photovoltaic: Pb- and Sn-based organic perovskites; investigation and improvement of the HTL-ETL interaction and contact via organic/inorganic molecules.2-dimensional materials: electronic and structural properties of graphene on metallic surfaces; development of mathematical models for the identification of simulation's cells in 2D stacked materials systems and 2D materials over substrates.Thermoelectric materials: investigation and prediction of electronic and lattice transport properties for high-performing thermoelectric materials with a particular focus on the aikinite (PbCuBiS3) e kuramite (Cu3SnS4) families.Topological materials: topological materials originated by translational symmetry breaking (HgTe-CdTe junctions); Weyl semimetals with time-reversal symmetry breaking (SrM1−xZnxSb alloys); properties of single-crystal kagomé metal CoSn.Quantum computing: development and application of optimization methods for routing and condensed matter problems on D-Wave quantum annealers. Development of new methods for condensed matter stability problems, order-disorder transitions on quantum annealers.
Veuillez noter qu'il ne s'agit pas d'une liste complète des publications de cette personne. Elle inclut uniquement les travaux sémantiquement pertinents. Pour une liste complète, veuillez consulter Infoscience.
Michael Graetzel, Paul Joseph Dyson, Ursula Röthlisberger, Felix Thomas Eickemeyer, Lukas Pfeifer, Vladislav Slama, Virginia Carnevali, Haizhou Lu, Nikolaos Lempesis, Yeonju Kim, Jaeki Jeong
Ursula Röthlisberger, Vladislav Slama, Virginia Carnevali, Nikolaos Lempesis, Andrea Vezzosi