Affiliation: Institut Català de Nanociència i Nanotecnologia, Barcelona, ES
Keywords: Density Functional Theory, quantum transport, magnetism, spintronics, nano electronics, Carbon nanomaterials, graphene, 2D materials, semiconductor nanowires, ferroelectrics, multiferroics
Zeila Zanolli is currently a DFG (Deutsche Forschungsgemeinschaft – German Research Foundation) Principal Investigator at the Physics department of RWTH Aachen University. Previously, she was a Marie Curie Intra European Fellow at Forschungszentrum Jülich. She is also a Research Team Leader of the European Theoretical Spectroscopy Facility (ETSF) and one of the scientific organizers of the bi-annual ETSF workshop. She has received several funding at the European and national level, as well as computing time on high-performance machines from PRACE and JARA-HPC. She is Expert Evaluator for the European Commission Horizon 2020, Future and Emerging Technology call (FET OPEN Research and Innovation Action) and reviewer for many journals edited by Nature, APS, ACS, Elsevier and more. She is a member of the “Women in theoretical/computational chemistry, material science, and biochemistry” group and, since 2017, of the Young Academy of Europe.
Her research focuses on first-principles (ab initio) modeling of nanoscale materials and quantum transport, with special attention to applications in nanoelectronic and spintronic devices. The ground state, structural, electronic and magnetic properties of materials are predicted using Density Functional Theory (DFT) techniques. Quantum (spin) transport is, then, described using the Non-Equilibrium Green’s Function (NEGF) formalism combined with the DFT approach. Beyond “ground state” techniques such as GW approximation, Bethe-Salpeter and Time Dependent DFT (TDDFT) are used to compute the optical properties of molecules and solids. The investigated systems include novel 2D materials, carbon-based nanostructures (carbon nanotubes, monoatomic carbon chains, graphene, …), multiferroics, hybrid organic-inorganic materials, III-V semiconductor nanowires. Her research goal is to unveil fundamental physical properties and, exploiting this knowledge, to design novel nanomaterials for applications in nanoelectronics, spintronics and energy materials.