Group Seminar Summer Semester 2011

Format: Presentation and discussion of interesting literature,
numerical or technical facts, tools and fundamental questions of science
Informal scientific get-together with coffee and biscuits

Date: Tuesdays, 11:30 am

Room: CH 62116 (New Seminar Room)

Winter Term 11/12

Date Speaker Title
Mo 12.09.2011 - 14 Uhr Max Blazejak Water oxidation on small Gold clusters using implicit solvent models
Th 15.09.2011 - 16:30 Uhr Dr. Martin McCoustra Photons, Electrons and Desorption
We 28.09.2011 - 11:30 Uhr Dr. Ralf Tonner Atomic and Electronic Structure of Surfaces and Molecular Crystals - Insights from DFT
Tu 18.10.2011 - 15:30 Uhr Dennis Palagin Silicon-16 Clusters
Mo 24.10.2011 - 2:00 pm Dr. Matteo Maestri CatalyticFOAM: towards a fully first-principles approach to catalytic reaction engineering
Tu 08.11.2011 - 11:30 am Prof. Dr. Karsten Reuter The art of writing abstracts
15.11.2011 Dr. Sebastian Matera First-principles chemical kinetics of CO oxidation at RuO2(110)
22.11.2011 Dr. Jelena Jelic news about MOFs
24.11.2011 - 1:30 pm Dr. Julian Schneider Specific Material Binding by Peptide Motifs on the Oxidized Titanium and Silicon Surface
29.11.2011 Dr. Tugba Davran-Candan Project Progress Report
06.12.2011 Dr. Ran Jia Simulation study of the Stockmayer fluid in an external field
13.12.2011 - 11:45 am Prof. Dr. Johannes Kästner Exploiting QM/MM Capabilities in Geometry Optimization, Tunneling and Free-Energy Sampling
10.01.2012 Claudia Mangold Understanding catalytic processes and their selectivity from first principles: the oxidation of ammonia
17.01.2012 Dr. Maarten Sabbe Benzene hydrogenation on Pt(111) and Pt3M bimetallic catalysts: a first principles study
24.01.2012 Dr. Carlos-Andres Palma Perspectives on 2D (Supra)molecular Engineering
31.01.2012 - No group seminar this week!
07.02.2012 Dr. Mira Todorova Combining ab initio calculations with thermodynamic concepts to address questions related to aqueous corrosion
14.02.2012 Prof. Rochus Schmid Towards first principles derived force fields for flexible porous hybrid coordination polymers