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Session #4
July 27, 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: Sara Giarrusso (University of California, Merced)
10:10-10:30
Density-driven correlations in ensemble density-functional theory
- Presenter: Filip Cernatic (Université de Strasbourg)
- Introduction by: Sajanthan Sekaran (Université de Strasbourg)
- Supervisor: Emmanuel Fromager (Université de Strasbourg)
10:30-10:50
Householder transformed density matrix functional embedding theory
- Presenter: Sajanthan Sekaran (Université de Strasbourg)
- Introduction by: Sajanthan Sekaran (Université de Strasbourg)
- Supervisor: Emmanuel Fromager (Université de Strasbourg)
10:50-11:30
Steady-State Density Functional Theory for Electronic and Thermal Transport
- Presenter: Nahual Sobrino (University of the Basque Country)
- Introduction by: Stefan Kurth (University of the Basque Country)
- Supervisor: Stefan Kurth (University of the Basque Country)
11:30-11:50
Break
11:50-12:30
Exchange-correlation density functionals with spin-density accuracy for open shells
- Presenter: Benjamin J. Pearce (Durham University)
- Introduction by: Timothy James Callow (Helmholtz-Zentrum Dresden-Rossendorf)
- Supervisor: Nikitas Gidopoulos (Durham University)
12:30-13:10
Towards a density functional theory of molecular fragments
- Presenter: Víctor Chávez (Purdue University)
- Introduction by: Adam Wasserman (Purdue University)
- Supervisor: Adam Wasserman (Purdue University)
13:10-13:50
Adiabatic connection approaches to thermal density functional theory
- Presenter: Brittany Harding (University of California, Merced)
- Introduction by: Juri Grossi (University of California, Merced)
- Supervisor: Aurora Pribram-Jones (University of California, Merced)