Dresden 2014 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

HL: Fachverband Halbleiterphysik

HL 11: Frontiers of electronic structure theory - Non-equilibrium phenomena at the nano-scale I (organized by O)

Montag, 31. März 2014, 10:30–13:15, TRE Ma

10:30 HL 11.1 Topical Talk: Molecular junction transport: some theoretical and computational considerations — •Mark Ratner and Matthew Reuter
11:00 HL 11.2 On the description of biased nanocontacts from ab initio — •Steven Achilles, Jürgen Henk, Michael Czerner, Christian Heiliger, and Ingrid Mertig
11:15 HL 11.3 Elasticity changes in molecular junctions under bias: an ab-initio study — •Clotilde S. Cucinotta, Meilin Bai, Ivan Rungger, Shmin Hou, and Stefano Sanvito
11:30 HL 11.4 Carbon nanotubes decorated with magnetic clusters: magnetism, electron transport and gas sensing — •Zeila Zanolli and Jean-Christophe Charlier
  11:45 15 min. break
12:00 HL 11.5 Topical Talk: Insight into Charge Transport in Molecular Junctions from Ab Initio Theories of Level Alignment — •Jeffrey B. Neaton
12:30 HL 11.6 Towards First-Principles Modeling of Solvent Effects in Photo-Catalytic Water Splitting — •Stefan Ringe, Harald Oberhofer, Sebastian Matera, and Karsten Reuter
12:45 HL 11.7 Towards a combined QM/MM and implicit solvent description of photoelectrochemical processes — •Markus Sinstein, Daniel Berger, Ran Jia, Volker Blum, Harald Oberhofer, and Karsten Reuter
13:00 HL 11.8 Ab-initio Simulation of Molecular Networks on the Surface of Water — •Ralph Koitz, Marcella Iannuzzi, Ari P Seitsonen, and Jürg Hutter
100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2014 > Dresden