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Program of the Midterm Workshop - Research Training Group
"Quantum Mechanical Materials Modelling QM3"

Schloss Etelsen, Langwedel-Etelsen, October 28th – October 30th 2018

Each project has allocated 45 minutes (30+15)

Round tables: “Quo vadis”-discussions ~ 45 min. Where are we? Which new topics to be addressed? How to strengthen collaborations in RTG?

 

Monday, October 28th 2019

09:00

10:00

10:00

10:15

 

Registration at the registration desk

Opening and welcome, Thomas Frauenheim and Tim Wehling

10:15

11:00

 

Guest talk: Nonequilibrium materials design - from dynamical Hubbard U to optical control in 2D materials

Dr. Michael Sentef (MPI Hamburg)

11:00

11:30

 

Coffee Break

11:30

12:15

 

Guest talk: Ta2NiSe5 - An excitonic insulator?

Dr. Malte Rösner (Radboud University, Nijmegen)

12:15

13:30

 

Lunch

13:30

14:15

 

P2: Many-body instabilities in 2D materials

Jan Berges (University of Bremen)

14:15

15:00

 

P3: Many-body approaches to realistic quantum impurity models and Coulomb engineering

Edin Kapetanovic, (University of Bremen)

15:00

15:30

 

Coffee Break

15:30

16:15

 

P1: Electron-Plasmon interactions in nanostructures

Alexandra Goebel, Lara Román Castellanos, Martik Aghajanian,

(Imperial College London)

16:15

17:00

 

P8: First-principles surface photo-chemistry

Thomas Teusch, (University of Oldenburg)

17:00

17:45

 

Postdoc project:Internal screening and dielectric engineering in 2D twisted bilayers

José Pizarro Blanco (University of Bremen)

18:00

19:30

 

Dinner

 

Tuesday, October 29th 2019

individual

 

Breakfast

09:00

 

09:45

 

Guest talk: Ultrafast nanoscale dynamics: a challenge for theory

Sascha Schäfer (University of Oldenburg)

09:45

10:30

 

Guest talk: Molecules in Non-Equilibrium Geometries

Tim Stauch, (University of Bremen)

10:30

11:00

11:00

11:45

 

Coffee Break

P5: Excited carrier dynamics in atomically thin 2D semiconductors

Daniel Erben (University of Bremen)

11:45

12:30

 

P6: Influence of defects & environment on photocatalytic properties of TiO2

Filippo Balzaretti (University of Bremen)

12:30

13:30

 

Lunch

13:30

14:15

 

Guest talk: Laser-induced charge transfer from real-time TDDFT

Prof. Dr. Caterina Cocchi (Humboldt University Berlin)

14:15

15:00

 

P7: Energy and charge transfer at surfaces

Sayan Maity, Hasan Rahman (Jacobs University Bremen)

15:00

15:45

 

P4: Many-body optics of TMDCs and black phosphorous

Frederik Lohof (University of Bremen)

15:45

16:15

 

Coffee Break

16:15

17:00

 

P9: Excited state molecular dynamics using TD-DFT/B in the frequency and time domain

Verena Gupta (University of Bremen)

17:00

17:45

 

P10: Electromigration in materials with extended defects

Elham Khorasani (University of Bremen)

17:45

18:30

 

Round table II: excited state dynamics and correlations

18:45

20:00

 

Dinner

20:00

22:00

 

Discussions

 

Wednesday, October 30th 2019

individual

 

Breakfast

09:00

09:45

 

P11 : Electronic structure and charge transport in defective and doped TMDCs

Muhammad Sufyan Ramzan (Jacobs University Bremen)

09:45

10:30

 

P12: 2D materials based sensing in liquid solvents

Massimo Delle Piane (University of Bremen)

10:30

11:00

 

Coffee Break

11:00

11:45

 

Status Report 1. Kohorte Doktoranden

11:45

12:15

 

New application research topics

12:15

13:15

 

Lunch

13:30

15:00

 

Next steps of RTG: planning of new application

15:00

15:30

 

Departure