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Seminars

Seminars take place on Thursdays at 2:00 pm, Room 0.50/0.51 (Ground floor in the TAB building, Entrance F), unless noted otherwise.

2019

16.05

 

Thomas Kühne
Dynamics of Condensed Matter, Department of Chemistry and Paderborn Center for Parallel Computing and Center for Sustainable Systems Design, University of Paderborn, Germany
Teaching new tricks to an old dog to quantify the degree of covalency of hydrogen bonding

25.04

 

Tien Son Nguyen
Department of Physics, Chemistry and Biology (IFM), Linköping University, Sweden
Impurities and defects in ß-Ga2O

25.04

 

Quoc Duy Ho
Bremen Center for Computational Materials Science, University of Bremen, Germany
Defect studies in ß-Ga2O3 using an optimized hybrid functional

11.04

 

Traian Dumitrica
University of Minnesota, Twin Cities, MN 55455, USA
Recent Applications of DFTB Objective Molecular Dynamics (OMD) to Nanomechanics of Carbon Nanotubes (CNTs) and Few-layer Graphene (FLG)

28.03

 

Elham Khorasani
Bremen Center for Computational Materials Science, University of Bremen, Germany
Testing the HSE functional for defects in layered van der Waals materials

28.03

 

Mohammad Bahmani
Bremen Center for Computational Materials Science, University of Bremen, Germany
Intrinsic point defects inside the monolayer of TMDs from first-principles calculations

14.03

 

Lynn Groß
Bremen Center for Computational Materials Science, University of Bremen, Germany
Intermolecular charge transfer through a conical intersection in organic photovoltaics

Special Time: 1:00 pm

28.02

 

Mauricio Chagas da Silva
Max-Planck-Institute for the Structure and Dynamics of Matter - MPSD, Hamburg, Germany
The issues and the theoretical strategies to deal with charged defects on periodic systems

21.02

 

Carlos Raúl Medrano
Departamento de Química Teórica y Computacional, National University of Córdoba, Argentina
Simulations on photoinduced charge transfer in VdW interstack Graphene Nanoribbons Heterojunctions

14.02

 

Franco P. Bonafé
Department of Mathematics and Physics, National University of Córdoba, Argentina
Atomistic simulations of time-resolved transient absorption spectra by real-time Ehrenfest TDDFTB

31.01

Ziyao Xu
Department of Chemistry, the University of Hong Kong, China
Coherent Real-space Charge Transport Across a Donor-Acceptor Interface Mediated by Vibrionic Couplings

24.01

 

Andréia Luisa da Rosa
Federal University of Goias, Belo Horizonte, Minas Gerais, Brasil
Functionalization of surfaces and one-dimensional nanostructures