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Phonons, Electron-Phonon Coupling, Heat and Char ... (No replies)
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The next tutorial of the FHI-aims tutorial series is about to start on March 23, 2022. The focus of this tutorial will be on the vibrational properties of solids including phonons, electron-phonon coupling, and heat and charge transport. During the hands-on part, participants will learn about how to compute phonon properties using FHI-aims through the python package FHI-vibes. The keynote lecture will be given by:
Christian Carbogno, Fritz Haber Institute of the Max Planck Society, Berlin, Germany
The FHI-aims tutorial series
This series of keynote lectures and tutorials focus on the calculation of the electronic structure and various properties of materials from the basics up to the most advanced aspects of the field using the software package FHI-aims. The intrinsic and numerical accuracy, precision, and efficiency of the underlying approximations will be discussed with a focus on density-functional theory, but also on many-body perturbation theory. In addition, we will explore FHI-aims in the field of data-centric science and artificial intelligence.
The hands-on parts will give the participants the opportunity to try and explore the presented content with FHI-aims, and to discuss any questions they may have.
Registration and participation are free of charge, and possible during the whole event! Please register here:
https://indico.fhi-berlin.mpg.de/e/FHIaimsTutorialSeries2021
We will adopt a virtual format for a total of 8 monthly tutorials. Each online tutorial is planned as a 2-day event. The format consists of one-hour keynote lectures by expert speakers combined with actual hands-on tutorials.
You can watch all the lectures of the previous events here:
https://youtube.com/playlist?list=PLYw9QdU0Pp9mBOMfzkUQ8mE2cwsc4eorW
Upcoming tutorials
What is FHI-aims?
FHI-aims is an all-electron electronic structure code based on numeric atom-centered orbitals. It enables first-principles simulations with very high numerical accuracy for production calculations, with excellent scalability up to very large system sizes (thousands of atoms) and up to very large, massively parallel supercomputers (ten thousand CPU cores). The code comes with full source access. FHI-aims is the product of a very large community, without whom this code would not exist and to whom we are immensely grateful. Please see https://fhi-aims.org for more information.
What is FHI-vibes?
FHI-vibes is a python package for calculating, analyzing, and understanding the vibrational properties of solids from first principles. FHI-vibes is intended to seamlessly bridge between the harmonic approximation and fully anharmonic molecular dynamics simulations. To this end, FHI-vibes builds on several existing packages and interfaces them in a consistent and user-friendly fashion.
Looking forward to meeting you soon!
The organizers
(Volker Blum, Jakob Filser, Sebastian Kokott, Hagen-Henrik Kowalski, Konstantin Lion, Karsten Reuter, Mariana Rossi, Matthias Scheffler)