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

23.05	Alessandro Pecchia Consiglio Nazionale delle Ricerche, ISMN, Via Salaria km 29,600, Roma, Italy Modelling Injection Rates at Metal/Organic Interfaces
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
09.05	Anders Niklasson Theoretical Division, Los Alamos National Laboratory, New Mexico, USA; Department of Scientific Computing Uppsala University, Sweden Shadow Hamiltonian dynamics for non-linear self-consistent field models
25.04	Tien Son Nguyen Department of Physics, Chemistry and Biology (IFM), Linköping University, Sweden Impurities and defects in ß-Ga₂O₃
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