FHI-aims Tutorial Series 2021 (Online)

from Wednesday, 25 August 2021 (15:00) to Thursday, 7 April 2022 (19:30)


        : Sessions
    /     : Talks
        : Breaks
25 Aug 2021
26 Aug 2021
22 Sep 2021
23 Sep 2021
27 Oct 2021
28 Oct 2021
24 Nov 2021
25 Nov 2021
1 Dec 2021
2 Dec 2021
12 Jan 2022
13 Jan 2022
9 Feb 2022
10 Feb 2022
6 Apr 2022
7 Apr 2022
AM
PM
15:00
The basics of electronic structure theory with FHI-aims (until 17:15) ()
15:00 M. Scheffler: Introduction to Electronic Structure Theory   ()
16:00 --- Break between talks ---
16:15 V. Blum: Numeric Atom-centered Orbitals and How to Use them   ()
17:15 --- Break between sessions ---
17:30
The basics of electronic structure theory with FHI-aims (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
The basics of electronic structure theory with FHI-aims (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
Beyond DFT in FHI-aims (RPA, GW, and BSE) (until 17:15) ()
15:00 Xingou Ren: Random-phase approximation   ()
16:00 --- Break between talks ---
16:15 D. Golze: Excited State Formalisms for Charge Carriers / GW   ()
17:15 --- Break between sessions ---
17:30
Beyond DFT in FHI-aims (RPA, GW, and BSE) (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
Beyond DFT in FHI-aims (RPA, GW, and BSE) (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems) (until 17:15) ()
15:00 Ville Havu: Numerical Methods for DFT and Beyond (linear scaling integration and RI)   ()
16:00 --- Break between talks ---
16:15 Victor Yu: Large-Scale Electronic Structure Methods (ELPA, ELSI)   ()
17:15 --- Break between sessions ---
17:30
Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems) (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
Scaling in FHI-aims (Scaling of algorithms used in FHI-aims, strategies for big systems) (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces (until 17:15) ()
15:00 K. Reuter: Catalysis, Scaling and beyond Scaling   ()
16:00 --- Break between talks ---
16:15 Yuanyuan Zhou: ab initio thermodynamics: addressing surfaces under operando (T, p) conditions via Replica-Exchange Grand-Canonical approach   ()
17:15 --- Break between sessions ---
17:30
Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
Ab initio thermodynamics (Surface stability), replica-exchange grand-canonical method for clusters/surfaces (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
Forces and ab initio MD (iPi) (until 16:00) ()
15:00 M. Rossi: Forces, ab initio MD   ()
16:00 --- Break between sessions ---
16:15
Forces and ab initio MD (iPi) (until 17:15) ()
16:15 Hands-on Tutorial: Setup-Session   ()
15:00
Forces and ab initio MD (iPi) (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
Phonons, electron-phonon coupling, heat and charge transport (until 16:00) ()
15:00 C. Carbogno: Phonons, electron-phonon coupling, heat and charge transport   ()
16:00 --- Break between sessions ---
16:15
Band-gap renormalization, thermal and electrical transport (until 17:15) ()
15:00
Band-gap renormalization, thermal and electrical transport (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
FHI-aims meets NOMAD I (Publish and Explore data with NOMAD) (until 17:15) ()
15:00 Claudia Draxl: Publish and Explore data with NOMAD   ()
16:00 --- Break between talks ---
16:15 Markus Scheidgen: Publish and Explore data with NOMAD   ()
17:15 --- Break between sessions ---
17:30
FHI-aims meets NOMAD I (Publish and Explore data with NOMAD) (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
FHI-aims meets NOMAD I (Publish and Explore data with NOMAD) (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()
15:00
FHI-aims meets NOMAD II (Analyze data with the Artificial Intelligence (AI) Toolkit) (until 17:15) ()
15:00 Matthias Scheffler: Artificial Intelligence for Materials Science: Learning Rules and Creating Maps of Materials Properties   ()
16:00 --- Break between talks ---
16:15 L. Ghiringhelli: Data-driven approaches for condensed matter   ()
17:15 --- Break between sessions ---
17:30
FHI-aims meets NOMAD II (Analyze data with the Artificial Intelligence (AI) Toolkit) (until 18:30) ()
17:30 Hands-on Tutorial: Setup-Session   ()
15:00
FHI-aims meets NOMAD II (Analyze data with the Artificial Intelligence (AI) Toolkit) (until 18:30) ()
15:00 Recap of day 1   ()
15:15 Hands-on Tutorial   ()
16:45 --- Break between hands-on ---
17:00 Hands-on Tutorial   ()