Dresden 2014 – wissenschaftliches Programm

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

HL: Fachverband Halbleiterphysik

HL 27: Frontiers of electronic structure theory - Non-equilibrium phenomena at the nano-scale II (organized by O)

Montag, 31. März 2014, 16:00–18:45, TRE Ma

16:00 HL 27.1 Topical Talk: Simulating heat transport: from large scale molecular dynamics to first-principles calculations — •Davide Donadio
16:30 HL 27.2 First principles study of thermal conductivity cross-over in nano-structured Zinc-Chalcogenides — •Ankita Katre, Atsushi Togo, Ralf Drautz, and Georg K. H. Madsen
16:45 HL 27.3 Density-functional perturbation theory for lattice dynamics with numeric atom-centered orbitals — •Honghui Shang, Christian Carbogno, Patrick Rinke, and Matthias Scheffler
17:00 HL 27.4 Breakdown of Fourier law in layered materials — •Andrea Cepellotti, Giorgia Fugallo, Francesco Mauri, and Nicola Marzari
17:15 HL 27.5 High Temperature Thermal Conductivity from First Principles — •Christian Carbogno, Rampi Ramprasad, and Matthias Scheffler
17:30 HL 27.6 Accurate Modelling of the Polymorphism and Elastic Response of Molecular Materials from First Principles — •Anthony Reilly and Alexandre Tkatchenko
17:45 HL 27.7 Surface chemistry on nanostructured oxides: do we have to go beyond hybrid DFT? — •Daniel Berger, Harald Oberhofer, and Karsten Reuter
18:00 HL 27.8 Atoms-in-solids perspective on polarizabilities and van der Waals coefficients in semiconductors — •Guo-Xu Zhang, Anthony M. Reilly, Alexandre Tkatchenko, and Matthias Scheffler
18:15 HL 27.9 Adsorption at semiconductor surfaces - an energy analysis method — •Ralf Tonner and Marc Raupach
18:30 HL 27.10 Non-local density functionals meet many-body dispersion: A hybrid approach for van der Waals interactions — •Jan Hermann, Matthias Scheffler, and Alexandre Tkatchenko
100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2014 > Dresden