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

Schloss Etelsen, Langwedel-Etelsen, September 26th – September 28th 2018

Wednesday, September 26th 2018

13:00

14:00

14:00

14:15

 

Registration at the registration desk

Opening and welcome, Thomas Frauenheim and Tim Wehling

14:15

15:00

 

P1: Electron-Plasmon interactions in nanostructures

Alexandra Goebel, Teresa Reinhard, (MPI Hamburg), Lara Román Castellanos, Martik Aghajanian, (Imperial College London)

15:00

15:45

 

P2: Many-body instabilities in 2D materials

Jan Berges (University of Bremen)

15:45

16:15

 

Coffee Break

16:15

17:00

 

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

Christina Steinke, Bin Shao (University of Bremen)

17:00

17:45

 

PP: Coupling first principle and many-body methods

Tim Wehling (University of Bremen)

17:45

18:15

 

Round Table I:

Many-body effects in 2d materials: What’s next?

18:30

20:00

 

Dinner

20:00

22:00

 

Discussions

 

Thursday, September 27th 2018

individual

 

Breakfast

08:30

09:00

09:00

09:45

 

Registration at the registration desk

Experiment: Predicting how crystalline matter dissolves: Kinetic Monte Carlo techniques and experimental validation

Andreas Lüttge (University of Bremen)

09:45

10:30

 

P10: Electromigration in materials with extended defects

Elham Khorasani (University of Bremen)

10:30

11:00

11:00

11:45

 

Coffee Break

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

Muhammad Sufyan Ramzan, Yun An, Vladimir Bacic (Jacobs University Bremen)

11:45

12:30

 

P12: 2D materials based sensing in liquid solvents

Sebastian Potthoff, Massimo Delle Piane (University of Bremen)

12:30

13:30

 

Lunch

13:30

14:15

 

Experiment: Challenges for theoretical spectroscopy, structure prediction and dynamics from solid state chemistry

Thorsten Gesing (University of Bremen)

14:15

15:00

 

P8: First-principles surface photo-chemistry

Thomas Teusch, Thorben Petersen (University of Oldenburg)

15:00

15:45

 

P7: Energy and charge transfer at surfaces

Sayan Maity, Hasan Rahman (Jacobs University 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, Adriel Dominguez, Lynn Gross (University of Bremen)

17:00

17:45

 

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

Filippo Balzaretti (University of Bremen)

17:45

18:15

 

Round table II:

Electronic and ionic transport in RTG QM³

18:30

20:00

 

Dinner

20:00

21:00

 

Poster Session and Discussions

 

Friday, September 28th 2018

individual

 

Breakfast

09:00

09:45

 

Experiment: Charge and excitation dynamics probed by ultrafast spectroscopy

Christoph Lienau (University of Oldenburg)

09:45

10:30

 

P4: Many-body optics of TMDCs and black phosphorous

Frederik Lohof (University of Bremen)

10:30

11:00

 

Coffee Break

11:00

11:45

 

Experiment: Hybrid nanostructures - probing materials and surfaces

Martin Eickhoff (University of Bremen)

11:45

12:30

 

P5: Excited carrier dynamics in atomically thin 2D semiconductors

Daniel Erben, Christian Carmesin, Mawussey Segnon,Michael Lorke, Alexander Steinhoff (University of Bremen)

12:30

13:30

 

Lunch

13:30

14:00

 

Round tableIII: Structural and electronic dynamics in RTG QM³

14:00

15:30

 

Planning of next steps for RTG QM³

15:30

16:00

 

Coffee and Departure