Workshop II: Fuels from Sunlight - IPAM

Workshop II: Fuels from Sunlight

Part of the Long Program Materials for a Sustainable Energy Future
October 14 - 18, 2013

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, October 14, 2013

Morning Session

08:00-09:00
Check-In/Light Breakfast (Hosted by IPAM)
Session Chair: Scheffler
09:00-09:15
Welcome and Opening Remarks
09:15-09:55
Jens Norskov (Stanford University)
Title not available
10:15-10:30
Break
10:30-11:10
Suljo Linic (University of Michigan)
Conversion of solar into chemical energy on plasmonic metal nanostructures
11:30-11:45
Break
11:45-12:25
Bill Schneider (University of Notre Dame)
Ionic Liquids for Carbon Capture.

Afternoon Session

12:45-14:30
Lunch (on your own)
Session Chair: Norskov
14:30-15:10
Sharon Hammes-Schiffer (University of Illinois at Urbana-Champaign)
Proton-Coupled Electron Transfer in Catalysis and Energy Conversion
15:30-16:00
Break
16:00-16:40
Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Title not available
17:00-18:30
Poster Session & Reception (Hosted by IPAM)

Tuesday, October 15, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: Klein
09:00-09:40
Karsten Reuter (Technical University Munich (TUM))
Modelling Energy Conversion at Interfaces: Heat and mass transfer effects in in-situ model catalyst studies
10:00-10:15
Break
10:15-10:55
John Bell (Lawrence Berkeley Laboratory)
Fluctuating Navier Stokes Equations for Multicomponent Systems
11:15-11:30
Break
11:30-12:10
Luca Ghiringhelli (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Free metal and metal-oxide clusters: beyond the static, monostructure description

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: Schuette
14:30-15:10
Eric Cances (École Nationale des Ponts-et-Chaussées)
Fast algorithms for implicit solvation models
15:30-16:00
Break
16:00-16:40
Yang Shao-Horn (Massachusetts Institute of Technology)
Title not available

Wednesday, October 16, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: Bell
09:00-09:40
Martin Head_Gordon (University of California, Berkeley (UC Berkeley))
Electronic structure methods for modeling catalytic processes: Recent advances and applications to proton reduction
10:00-10:15
Break
10:15-10:55
Reinhold Schneider (Technische Universität Berlin)
Dynamical low rank approximation in hierarchical tensor formats for electronic structure methods
11:15-11:30
Break
11:30-12:10
Rupert Klein (Freie Universität Berlin)
Yserentant's results on the effective complexity of many-electron eigenfunctions

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: G. Galli
14:30-15:10
Graeme Henkelman (University of Texas at Austin)
Modeling the structure and activity of nanoparticle catalysts
15:30-16:00
Break
16:00-16:40
Christof Schuette (Free University of Berlin and Zuse Institute Berlin)
Title not available

Thursday, October 17, 2013

Morning Session

08:00-09:00
Continental Breakfast
Session Chair: Reuter
09:00-09:40
Poul Moses (Haldor Topsoe)
Computational catalysts design for non-transitional metal catalysts
10:00-10:15
Break
10:15-10:55
Sohrab Ismail Beigi (Yale University)
Morphology and electronic alignment of the Poly(3-hexylthiophene)/ZnO interface
11:15-11:30
Break
11:30-12:10
Norina Richter (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Concentration of Point Defects at Surfaces: The Crucial Role of T, p, and Doping

Afternoon Session

12:30-14:30
Lunch (on your own)
Session Chair: Tuckerman
14:30-15:10
Thomas Bligaard (Stanford University)
Error estimation and validation of computational trend studies in heterogeneous catalysis
15:30-16:00
Break
16:00-16:40
Ivano Castelli (Technical University of Denmark)
High-throughput Screening of New Materials for Water Splitting Applications
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