Dresden 2020 – wissenschaftliches Programm
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DS 5: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions I (joint session O/CPP/DS/HL)
Montag, 16. März 2020, 10:30–12:45, GER 38
Electronic-structure calculations from first principles have become an indispensable and ubiquitous tool in materials modeling, design, and discovery. One of the outstanding challenges in this area is to study materials at finite temperature, in order to achieve a more realistic description of materials properties and to enable direct comparison with experimental data. To address this challenge it will be necessary to move beyond the static-ions approximation, and to devise systematic approaches for incorporating the effects of electron-phonon coupling, phonon-phonon interactions, and phonon-assisted quantum processes in state-of-the-art electronic-structure methods. The invited lectures will cover recent progress in the broad area of electron-phonon physics from the point of view of first-principles calculations. More generally, the symposium will also cover other areas of first-principles computational materials science (basic methods and applications).
Claudia Draxl (Humboldt-Universität zu Berlin, Germany), Feliciano Giustino (University of Texas at Austin, USA), Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany)