BEGIN:VCALENDAR VERSION:2.0 PRODID:-//Memento EPFL// BEGIN:VEVENT SUMMARY:IMX Talks - Electron dynamics in materials from first principles DTSTART:20210517T160000 DTEND:20210517T170000 DTSTAMP:20260508T120202Z UID:ef496df1bbdf0f5406ae0e30262258b492d22ecc839b8e863104e7f9 CATEGORIES:Conferences - Seminars DESCRIPTION:Prof. Marco Bernardi\, Department of Applied Physics and Mater ials Science\, California Institute of Technology\nRecent progress in comb ining density functional theory with the Boltzmann equation are enabling s pectacular advances in computing electron dynamics in materials from first principles. The interaction between electrons and lattice vibrations (pho nons) plays a central role in these studies as it governs electron dynamic s near room temperature. I will present our recently developed methods to compute electron-phonon interactions from first principles\, and show how these advances enable calculations of charge transport and ultrafast dynam ics in materials. The talk will focus on:\n1) First-principles calculation s of the carrier mobility\, providing new insight into the mechanisms gove rning charge transport in semiconductors and oxides. I will discuss challe nges for investigating complex materials\, including those with polar bond s\, structural phase transitions\, strong electron-phonon interactions lea ding to polaron formation\, and crystallographic defects.\n2) Accurate sim ulations of materials out of equilibrium\, focusing on a numerical approac h to investigate the coupled ultrafast dynamics of electrons and phonons. I will demonstrate how this framework can compute time-domain absorption\, diffraction and photoemission with quantitative accuracy in bulk and two- dimensional materials. Extensions to treat materials with strongly bound e xcitons will also be discussed.\n3) Finally\, I will highlight our efforts to develop an open source code\, PERTURBO\, that makes these new computat ional methods and workflows available to the community. The code’s uniqu e capabilities\, which will be described\, equip us with broadly applicabl e quantitative tools to investigate electron interactions and dynamics in materials.\nThe talk will conclude with a discussion of the “quantum fro ntier” of this emerging field\, focusing on studies of electron dynamics in quantum materials – both topological and correlated – and decohere nce in qubit devices.\nBio: Marco Bernardi is assistant professor of Appli ed Physics and Materials Science at Caltech. He received his Ph.D. in Mate rials Science from MIT\, where he worked with Prof. Jeff Grossman on novel materials and physical processes for solar energy conversion. He was a po stdoc in the Physics Department at UC Berkeley\, where\, working with Prof s. Steve Louie and Jeff Neaton\, he developed new theoretical approaches f or investigating excited electrons in materials. Marco's group at Caltech develops quantum mechanical calculations aimed at understanding the dynami cs of electrons in materials\, with application to electronics\, optoelect ronics\, energy\, quantum technologies and ultrafast science. Marco receiv ed the NSF CAREER Award in 2018\, the AFOSR Young Investigator Award in 20 17\, the Psi-K Volker Heine Young Investigator Award for electronic struct ure calculations in 2015\, and the Intel Ph.D. Fellowship in 2013. His wor k favors quantitative analysis and accurate computational approaches to un derstand the physics and potential applications of novel materials\, chart ing new directions in materials theory.\n  LOCATION:https://epfl.zoom.us/j/83089970249?pwd=aE5GTU5PMUxkZnFPazdiVFdKL3 orZz09 STATUS:CONFIRMED END:VEVENT END:VCALENDAR