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Session #2
July 13, 2021 @ 10:00 am - 2:00 pm
The weekly seminar is held on Zoom every Tuesday at 7am–11am PST, 10am–2pm EST, 4pm–8pm CET, 0pm-4am AEST. For each invited research group, the presentation consists of a 30-minutes talk or two 15-minutes talks, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion.
10:00-10:10
Introduction
- Chair: Ryan Requist (The Hebrew University of Jerusalem)
10:10-10:50
Importance of error decomposition in empirical density functionals
- Presenter: Suhwan Song (Yonsei University)
- Introduction by: Eun Ji Sim (Yonsei University)
- Supervisor: Eun Ji Sim (Yonsei University)
10:50-11:10
Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional
- Presenter: Guy Ohad (Weizmann Institute of Science)
- Introduction by: Dahvyd Wing (Weizmann Institute of Science)
- Supervisor: Leeor Kronik (Weizmann Institute of Science)
11:10-11:30
An optimal tuning perspective of range-separated double hybrid functionals
- Presenter: Georgia Prokopiou (Weizmann Institute of Science)
- Introduction by: Dahvyd Wing (Weizmann Institute of Science)
- Supervisor: Leeor Kronik (Weizmann Institute of Science)
11:30-11:50
Break
11:50-12:30
New approximation to the exchange correlation potential using connector theory
- Presenter: Ayoub Aouina (Laboratoire des solides irradiés, École polytechnique)
- Introduction by: Vitaly Gorelov (Laboratoire des solides irradiés, École polytechnique)
- Supervisor: Lucia Reining (Laboratoire des solides irradiés, École polytechnique)
12:30-13:10
On the relationship between the Kohn-Sham potential, the Paulipotential, and the Exact Electron Factorization
- Presenter: Jakub Kocak (ETH Zürich)
- Introduction by: Axel Schild (ETH Zürich)
- Supervisor: Axel Schild (ETH Zürich)
13:10-13:50
Chemical accuracy at low computational cost: Optimizing sigma-functionals for the Kohn-Sham correlation energy for different input orbitals and eigenvalues
- Presenter : Steffen Fauser (Universität Erlangen-Nürnberg)
- Introduction by: Egor Trushin (Universität Erlangen-Nürnberg)
- Supervisor: Andreas Görling (Universität Erlangen-Nürnberg)