High-throughput and Data-driven Approaches Guiding Smart Operando Experiments (Workshop 3)
Tuesday, 22 May 2018 -
13:00
Monday, 21 May 2018
Tuesday, 22 May 2018
13:00
Opening Remarks
Opening Remarks
13:00 - 13:10
13:10
Product and Process Analysis by High-throughput X-ray Absorption Spectroscopy: From Concept to Reality
-
Sven L. M. Schroeder, University of Leeds
Product and Process Analysis by High-throughput X-ray Absorption Spectroscopy: From Concept to Reality
Sven L. M. Schroeder, University of Leeds
13:10 - 13:50
13:50
An Iterative Machine Learning – High-throughput Experimental Approach to Discovering Novel Amorphous Alloys
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Jason Hattrick-Simpers, National Institute of Standards and Technology
An Iterative Machine Learning – High-throughput Experimental Approach to Discovering Novel Amorphous Alloys
Jason Hattrick-Simpers, National Institute of Standards and Technology
13:50 - 14:10
14:10
Machine Learning for Automated X-ray Scattering Experiments
-
Kevin Yager, Center for Functional Nanomaterials
Machine Learning for Automated X-ray Scattering Experiments
Kevin Yager, Center for Functional Nanomaterials
14:10 - 14:30
14:30
Extracting Nanoscale Details from X-ray Absorption Data by Supervised Machine Learning
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Janis Timoshenko, Stony Brook University
Extracting Nanoscale Details from X-ray Absorption Data by Supervised Machine Learning
Janis Timoshenko, Stony Brook University
14:30 - 14:50
14:50
Coffee Break (Included) and Group Photo
Coffee Break (Included) and Group Photo
14:50 - 15:10
15:10
Combining Atomistic Modeling and Machine Learning for Co-refinement of x-ray and Electron Characterization Data
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Maria Chan, Argonne National Laboratory
Combining Atomistic Modeling and Machine Learning for Co-refinement of x-ray and Electron Characterization Data
Maria Chan, Argonne National Laboratory
15:10 - 15:50
15:50
X-ray Spectroscopy Theory, Data Base Mining, and Bayesian Analysis
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John Rehr, University of Washington
X-ray Spectroscopy Theory, Data Base Mining, and Bayesian Analysis
John Rehr, University of Washington
15:50 - 16:10
16:10
Prospects for Elucidating Reaction Mechanisms via Adaptive Transient Kinetics Experiments
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Andrew Medford, Georgia Tech
Prospects for Elucidating Reaction Mechanisms via Adaptive Transient Kinetics Experiments
Andrew Medford, Georgia Tech
16:10 - 16:30
16:30
Coffee Break
Coffee Break
16:30 - 16:40
16:40
The Materials Project: Conception to Confirmation in a Virtual Lab
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Shyam Dwaraknath, Lawrence Berkeley National Laboratory
The Materials Project: Conception to Confirmation in a Virtual Lab
Shyam Dwaraknath, Lawrence Berkeley National Laboratory
16:40 - 17:10
17:10
Data Management and Data-Enabled Research at NIST
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Robert Hanisch, National Institute of Standards and Technology
Data Management and Data-Enabled Research at NIST
Robert Hanisch, National Institute of Standards and Technology
17:10 - 17:40
17:40
Provenance-enabled Sample Measurements and Tracking for Multi-modal Analysis and Predictive Synthesis
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Line Pouchard, Computational Science Initiative
Provenance-enabled Sample Measurements and Tracking for Multi-modal Analysis and Predictive Synthesis
Line Pouchard, Computational Science Initiative
17:40 - 18:00
18:00
Summary and Discussion
Summary and Discussion
18:00 - 18:30