Novel First-Principles Tools for Electron Dynamics in Quantum Materials and Devices
ORAL
Abstract
Understanding electron dynamics in quantum materials and devices presents new challenges and opportunities. In this talk, I will discuss novel first-principles tools developed in my group to study transport in electric and magnetic fields in quantum materials with spin-orbit coupling, nontrivial band topology, and strong electronic correlations. Methods to accurately predict spin relaxation and defect-mediated scattering, of relevance for quantum devices, will also be discussed. I will conclude by highlighting progress on our open-source code, PERTURBO, to make these new computational methods and workflows available to the community.
*We gratefully acknowledge funding from the National Science Foundation, under Grant No. DMR-1750613, and the Department of Energy, under Grant No. DE-SC0019166.
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Presenters
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Marco Bernardi
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
- Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA