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International Summer School on Basic Concepts and First-Principles Computations for Surface Science: Applications in Chemical Energy Conversion and Storage
Norderney, Germany, July 21-26, 2013
Program
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Sunday, July 21, 2013 |
15:00 – 16:30 |
Registration |
16:30 – 19:00 |
Session: Basics
Electronic Structure Theory (M. Scheffler)
Treating surfaces: Clusters vs. supercells (L. Ghiringhelli)
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19:00 – 20:30 |
Dinner |
20:45 – 22:00 |
Session: Surface Spectroscopy
Surface science approach, experimental techniques (M. Weinelt)
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Monday, July 22, 2013 |
9:00 – 13:00 |
Session: Molecular Nanoscience
Organics at surfaces, self-assembly (Ch. Wöll)
Bonding at surfaces (A. Tkatchenko)
Hot topic 1: DFT self-interaction failures (N. Marzari)
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13:00 – 15:00 |
Discussions & Break |
15:00 – 19:00 |
Session: Materials for Energy
High throughput, materials genome (N. Marzari)
Scaling relations (A. Vojvodic)
Hot topic 2: Bulk doping effects in hybrid organic/inorganic systems from quantum mechanical first principles (P. Rinke)
Hot topic 3: Femtomagnetism: The transient band structure of Gadolinium (M. Weinelt)
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19:00 - 20:30 |
Dinner |
20:30 - 22:30 |
Poster Session I: even numbered posters (Poster format A0, portrait) |
Tuesday, July 23, 2013 |
9:00 – 13:00 |
Session: From Energy to Kinetics
Reactions at surfaces (C. Friend)
Barrier calculations (G. Henkelman)
Hot topic 4: First-principles based catalytic reaction engineering (M. Maestri)
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13:00 – 15:00 |
Discussions & Break |
15:00 – 19:00 |
Session: Heterogeneous Catalysis
Microkinetic modeling (K. Reuter)
Heat and mass transport (M. Maestri)
Hot topic 5: Chemistry and Catalysis on Alloy surfaces (C. Friend)
Hot topic 6: Why (100) terraces make and break bonds (M. Koper)
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19:00 – 20:30 |
Dinner |
20:45 – 22:00 |
Session: Excited States
Electronic excitations, computational spectroscopy (P. Rinke) |
Wednesday, July 24, 2013 |
9:00 – 13:00 |
Session: Light harvesting
Molecular levels at surfaces, optical properties (A. Selloni)
Photocatalysis at surfaces (M. Nest)
Hot topic 7: Space charge transfer at metal-oxide surfaces (M. Scheffler)
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13:00 – 15:00 |
Discussions & Break |
15:00 – 19:00 |
Session: Photovoltaics
Solar cells (C. Persson)
Charge transfer (H. Oberhofer)
Hot topic 8: Intriguing physics of on Cu-based solar cell materials (C. Persson)
Hot topic 9: Advances in electron dynamics with real-time time-dependent density-functional theory (M. Nest)
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19:00 - 20:30 |
Dinner |
20:30 - 22:30 |
Poster Session II: odd numbered posters (Poster format A0, portrait) |
Thursday, July 25, 2013 |
9:00 – 14:00 |
Session: Electrochemistry
Solid-liquid interfaces and external bias (A. Groß)
Electrocatalysis (M. Koper)
Hot topic 10: Hybrid organic/inorganic systems: Blurring borders between chemisorption and physisorption (A. Tkatchenko)
Hot topic 11: Lowering reaction barriers at surfaces through concerted reaction mechanisms (A. Groß)
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14:00 – 17:00 |
Discussions & Break |
17:30 – 19:30 |
Conference Outing: Mudflat Hiking at the Wadden Sea
(Wear old socks and sneakers!)
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20:30 - 22:30 |
Conference Dinner |
Friday, July 26, 2013 |
9:30 – 12:30 |
Session: Modeling: Quo vadis?
Theory and experiment in heterogeneous catalysis (J. Nørskov)
Perspective on battery research (A. Luntz)
Thermoelectrics (M. Verstraete)
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13:00 |
Departure |
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