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)
Anthony H. McDaniel and David Ginley
Introductory Remarks
(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)
(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)
(Invited) Rapid Computational Screening of Materials for Water Splitting Using Ab Initio and Machine Learned Models: Thermodynamic and Kinetics of Solar Thermal Hgeneration
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)
(Invited) Predicting Properties of Complex Interfaces for Photoelectrochemistry: Challenges and Strategies
B. C. Wood, T. Ogitsu, and T. A. Pham (Lawrence Livermore National Laboratory)
(Invited) Mesoscale Modeling Approaches for Hydrogen Generation and Storage
T. W. Heo, T. Ogitsu, and B. C. Wood (Lawrence Livermore National Laboratory)
(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)