Integrating Theory, Experimental, and Validation Benchmarking Methods at Different Scales

Tuesday, 30 May 2017: 13:25-18:00
Grand Salon C - Section 13 (Hilton New Orleans Riverside)
Chairs:
Anthony H. McDaniel and David Ginley
13:25
Introductory Remarks
13:30
1666
(Invited) The Materials Project: Milestones, Challenges, and Opportunities in High-Throughput Computational Materials Science
J. H. Montoya (Lawrence Berkeley National Laboratory) and K. A. Persson (University of California at Berkeley)
14:00
1667
(Invited) Design and Realization of New Thermochemically Active Materials
L. Garten (NREL), S. Dwaraknath (LBNL), R. Whitehead (NREL), P. Selvarasu (Centre for Nanoscience & Tech., Pondicherry University, NREL), D. R. Barcellos de Oliveira (Colorado School of Mines), Z. Chan (Harvard University), C. Duan (Metallurg. & Mtls Dept., Colorado School Of Mines), K. Stone (SLAC), K. A. Persson (University of California at Berkeley), R. O'Hayre (Colorado School of Mines), D. Nocera (Harvard University), and D. Ginley (NREL)
14:30
1668
(Invited) Exploring and Understanding Energy Conversion at Interfaces By Combining Simulations and X-Ray Spectroscopy
D. Prendergast (Lawrence Berkeley National Laboratory)
15:00
1669
(Invited) Rapid Computational Screening of Materials for Water Splitting Using Ab Initio and Machine Learned Models: Thermodynamic and Kinetics of Solar Thermal H2 generation
R. Trottier, S. Miller-Millican, C. Bartel (University of Colorado Boulder), A. M. Holder (National Renewable Energy Laboratory), A. Weimer (University of Colorado, Boulder), and C. B. Musgrave (University of Colorado)
15:30
Break
15:45
1670
(Invited) Predicting Properties of Complex Interfaces for Photoelectrochemistry: Challenges and Strategies
B. C. Wood, T. Ogitsu, and T. A. Pham (Lawrence Livermore National Laboratory)
16:15
1671
(Invited) Mesoscale Modeling Approaches for Hydrogen Generation and Storage
T. W. Heo, T. Ogitsu, and B. C. Wood (Lawrence Livermore National Laboratory)
16:45
1672
(Invited) Synthetic Screening of Electrolytes for Li-Air Batteries
R. E. Jones, F. S. Gittleson (Sandia National Laboratories), M. E. Foster (Sandia National Laboratories, Livermore, CA 94551-0969), and D. K. Ward (Sandia National Laboratories)
17:15
1673
(Invited) Integrating Theory and Experiment to Understand and Control Reaction Pathways
M. F. Toney (SLAC National Accelerator Laboratory)
17:45
Discussion
See more of: I06: Crosscutting Metrics and Benchmarking of Transformational Low-Carbon Energy-Conversion Technologies
See more of: Fuel Cells, Electrolyzers, and Energy Conversion
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