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Session #6
August 10, 2021 @ 10:00 am - 2:00 pm
This session will be held on Zoom on Tuesday, August 10th at 8am-10am PST, 11am-1pm EST, 5pm-7pm CET, 1am-3am 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.
11:00
Introduction
- Chair: Juri Grossi (University of California, Merced)
11:00-11:40
Quantum DFT-Embedding Algorithm for Electronic Structure Calculations
- Presenter: Max Rossmannek (IBM Research Zurich)
- Introduction by: Panagiotis Barkoutsos (IBM Research Zurich)
- Supervisor: Ivano Tavernelli (IBM Research Zurich)
11:40-12:20
Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited State Energies, Geometries and Dynamics
- Presenter: Coraline Tao (Yale University)
- Introduction by: Saswata Roy (Yale University)
- Supervisor: Sharon Hammes-Schiffer (Yale University)
12:20-13:00
Exchange-correlation kernels with density-based ingredients
- Presenter: Santosh Neupane (Temple University)
- Introduction by: Niraj Nepal (Temple University)
- Supervisor: Adrienn Ruzsinszky (Temple University)