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Seminars

Tuesday, 23.10.2018 10:00

Thomas A. Jung (Paul Scherrer Institute, Switzerland; University of Basel, Switzerland)

Future quantum technologies, for...

Tuesday, 23.10.2018 15:00

Dominik Legut (IT4Innovations & Nanotechnology Centre , VSB-Technical University of Ostrava, 17. listopadu 15, CZ 708 33, Czech Republic)

Abstract: Uranium monocarbide, a potential fuel material for the generation IV reactors, is investigated within density functional theory. Its electronic, magnetic, elastic, and phonon properties are analyzed and discussed in terms of spin-orbit interaction and localized versus itinerant behavior of the 5f electrons. The localization of the 5f states is tuned by varying the local Coulomb repulsion interaction parameter. We demonstrate that the theoretical electronic structure, elastic constants, phonon dispersions, and their densities of states can reproduce accurately the...

Thursday, 25.10.2018 14:00

Prof. Ioana C. Maris (Université Libre de Bruxelles, Belgique)

Abstract:

The field of dark matter research is focused on few main directions: search for possible particle interactions in low-background detectors or accelerators, the direct search approach, or astrophysical indirect searches exploiting the expected dark matter densities in the Earth, the Sun, the center of our Galaxy or other astrophysical objects. In the first part of this seminar I will present an overview of the current results, focusing on IceCube and XENON1T experiments as examples. In the last four decades of searches there has been no clear detection of a dark...

Tuesday, 30.10.2018 10:00

Mariana Hildebrand (Imperial College London; mariana [dot] hildebrand13atimperial [dot] ac [dot] uk)

Recent interest in functionalised graphene has been motivated by the prospect of creating a two-dimensional semiconductor with a tunable band gap. Various approaches to band gap engineering have been made over the last decade, one of which is chemical functionalisation. In this work, a predictive physical model of the self-assembly of halogenated carbene layers on graphene is suggested. Self-assembly of the adsorbed layer is found to be governed by a combination of the curvature of the graphene sheet, local distortions, as introduced by molecular adsorption, and short-range intermolecular...

Thursday, 15.11.2018 15:00

Peter Saalfrank (Institut für Chemie, Universität Potsdam, Potsdam, Germany)

The coupling of electrons of a (metal) surface to an adsorbate, or non-adiabatic effects in general, are often neglected in previous theoretical treatments of molecular dynamics of atoms or molecules adsorbed at surfaces. However, they can have a decisive influence on various phenomena, such the vibrational relaxation of the adsorbed species, inelastic molecule-surface scattering, and femtosecond-laser induced surface photochemistry. Fully quantum, multi-dimensional dynamical approaches are unfeasible in most cases and / or rely on far-going model assumptions. Recent years have seen the...