2019 MRS Spring Meeting & Exhibit

Symposium GI01 : Advancing Materials Discovery with Data-Driven Science (NEW!)

2019-04-23   Show All Abstracts

Symposium Organizers

Elsa Olivetti, Massachusetts Institute of Technology
Muratahan Aykol, Toyota Research Institute
Logan Ward, University of Chicago
Jason Hattrick-Simpers, National Institute of Standards and Technology
GI01.01: Knowledge Discovery in Materials Science—Methods and Applications I
Session Chairs
Logan Ward
Olga Wodo
Tuesday AM, April 23, 2019
PCC West, 100 Level, Room 102 C

10:30 AM - *GI01.01.01
Data-Driven Molecular Engineering of Functional Materials

Jacqueline Cole1,2,3

University of Cambridge1,STFC Rutherford Appleton Laboratory2,Argonne National Laboratory3

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11:00 AM - GI01.01.02
Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks

Edward Kim1,Zach Jensen1,Alexander van Grootel1,Kevin Huang1,Matthew Staib1,Sheshera Mysore2,Haw-Shiuan Chang2,Emma Strubell2,Andrew McCallum2,Stefanie Jegelka1,Elsa Olivetti1

Massachusetts Institute of Technology1,University of Massachusetts Amherst2

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11:15 AM - GI01.01.03
Teaching a Computer Synthesis—Obtaining “Codified Synthesis Recipes” by Machine Reading Millions of Papers

Olga Kononova1,Haoyan Huo1,Tanjin He1,Ziqin Rong2,Tiago Botari1,Vahe Tshitoyan2,Wenhao Sun2,Gerbrand Ceder1,2

University of California, Berkeley1,Lawrence Berkeley National Laboratory2

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11:30 AM - GI01.01.04
Materials Property Datasets with Minimal Effort Using Hybrid Human-Machine Text Extraction

Roselyne Tchoua1,Aswathy Ajith1,Zhi Hong1,Logan Ward2,Kyle Chard2,Debra Audus3,Shrayesh Patel1,Juan de Pablo1,2,Ian Foster1,2

The University of Chicago1,Argonne National Laboratory2,National Institute of Standards and Technology3

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11:45 AM - GI01.01.05
A Classifier for Identifying Materials with Metal-Insulator Transitions

Nicholas Wagner1,Peiwen Ren1,James Rondinelli1

Northwestern University1

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GI01.02: Knowledge Discovery in Materials Science—Getting More Out of Characterization
Session Chairs
Jason Hattrick-Simpers
Elsa Olivetti
Tuesday PM, April 23, 2019
PCC West, 100 Level, Room 102 C

1:30 PM - *GI01.02.01
Knowledge from Atomically Resolved Images—Deep Learning Meets Statistical Physics

Sergei Kalinin1,Stephen Jesse1,Christopher Nelson1,Maxim Ziatdinov1,Rama Vasudevan1,Ondrej Dyck1,Andrew Lupini1

Oak Ridge National Laboratory1

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2:00 PM - *GI01.02.02
Artificial Intelligence for Knowledge Generation in Materials Science

Elizabeth Holm1

Carnegie Mellon University1

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2:30 PM - GI01.02.03
Metric Learning of Composition-Current Mapping from High-Throughput Experiments to Accelerate Catalyst Discovery for Fuel Cells and Metal-Air Batteries

Olga Wodo1,Kiran Vaddi1,Surya Vamsi Devaguptapu1,Fei Yao1,Brian Hayden2,Krishna Rajan1

University at Buffalo, The State University of New York1,University of Southampton2

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2:45 PM - GI01.02.04
Performance Assessments from Low-Cost Surrogate Measurements

Helge Stein1,Dan Guevarra1,Joel Haber1,John Gregoire1

California Institute of Technology1

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3:00 PM -
BREAK


GI01.03: Automation of Materials Research—From Robots to Software
Session Chairs
Muratahan Aykol
Helge Stein
Tuesday PM, April 23, 2019
PCC West, 100 Level, Room 102 C

3:30 PM - *GI01.03.01
A Self-Driving Laboratory for Accelerating Materials Discovery

Curtis Berlinguette1,Jason Hein1,Alán Aspuru-Guzik2,Ben MacLeod1,Fraser Parlane1,Brian Lam1

The University of British Columbia1,The University of Toronto2

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4:00 PM - *GI01.03.02
Robot-Enabled Halide Perovskite Discovery—A Case Study in Autonomous Materials Exploration

Joshua Schrier1

Fordham University1

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4:30 PM - GI01.03.03
ChemOS—Orchestrate Self-Driving Laboratories for Next-Generation Experimentation

Loïc Roch1,2,Florian Häse3,1,2,Alán Aspuru-Guzik2,1,4

Vector Institute for Artificial Intelligence1,University of Toronto2,Harvard University3,Canadian Institute for Advanced Research (CIFAR)4

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4:45 PM - GI01.03.04
Data Services to Increase Data Accessibility and Adoption of Data-Driven Materials Science Research

Marcus Schwarting1,Ben Blaiszik1,Logan Ward1,Jonathon Gaff1,Ryan Chard1,Zhuozhao Li2,Kyle Chard2,Yadu Nand2,Evan Pike3,Michael Franklin2,Steve Tuecke1,Ian Foster1

Argonne National Laboratory1,The University of Chicago2,Cornell University3

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GI01.04: Poster Session: Advancing Materials Discovery with Data-Driven Science
Session Chairs
Muratahan Aykol
Elsa Olivetti
Logan Ward
Tuesday PM, April 23, 2019
PCC North, 300 Level, Exhibit Hall C-E

5:00 PM - GI01.04.01
Program for Three-Dimensional Quantification of Elemental Segregation to Surfaces in Large APT Datasets

Linqing Peng1,Jonathan Poplawsky2

Grinnell College1,Oak Ridge National Laboratory2

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5:00 PM - GI01.04.02
Natural Language Processing for Materials Discovery and Design

John Dagdelen1

University of California, Berkeley1

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5:00 PM - GI01.04.03
Augmenting Machine Learning of Energy Landscapes with Local Structural Information

Shreyas Honrao1,Stephen Xie2,Richard Hennig2,1

Cornell University1,University of Florida2

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5:00 PM - GI01.04.04
Predicting Material Properties Using a Novel Descriptor “Elemental Fingerprints” with Neural Networks

Jaekyun Hwang1,Satoshi Watanabe1

The University of Tokyo1

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5:00 PM - GI01.04.05
Machine Learning Accelerates the Characterization of Functional Materials

Tonio Buonassisi1

Massachusetts Institute of Technology1

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5:00 PM - GI01.04.06
Optimization of Transparent Hole-Conducting Materials Via Machine Learning

Lingfei Wei1,2,Xiaojie Xu3,James Bullock4,5,Gurudayal Gurudayal1,Joel Ager1,5

Lawrence Berkeley National Laboratory1,Southeast University2,Lawrence Livermore National Laboratory3,The University of Melbourne4,University of California, Berkeley5

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5:00 PM - GI01.04.07
Structural Evaluation of Ca1-xBixMnO3-δ Using Combination of Newly High-Throughput Data Collection Tool for Synchrotron Powder X-Ray Diffraction and Automatic Structural Refinement Software

Kenjiro Fujimoto1,Akihisa Aimi1,Yusuke Yamada1,Shingo Maruyama2

Tokyo University of Science1,Tohoku University2

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5:00 PM - GI01.04.08
Distribution of Zr Atoms in Σ3(1-12)/[100] Ce1-xZrxO2 Grain Boundary Using Genetic Algorithm and Substitution Region Restriction Method

Yeong-Cheol Kim1,Ki-Yung Kim1,Young-Bok Kim1

KoreaTech1

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5:00 PM - GI01.04.09
Construction of Neural Network Potential to Investigate Interface Structures, Ion Migration Under Electric Fields and Phonon Properties

Koji Shimizu1,Takanori Moriya1,Masayoshi Ogura1,Wei Liu1,Wenwen Li2,Yasunobu Ando2,Emi Minamitani1,Satoshi Watanabe1,3

The University of Tokyo1,National Institute of Advanced Industrial Science and Technology2,National Institute for Materials Science3

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2019-04-24   Show All Abstracts

Symposium Organizers

Elsa Olivetti, Massachusetts Institute of Technology
Muratahan Aykol, Toyota Research Institute
Logan Ward, University of Chicago
Jason Hattrick-Simpers, National Institute of Standards and Technology
GI01.05: Accelerating Materials Research with Machine Learning I
Session Chairs
Muratahan Aykol
Anubhav Jain
Wednesday AM, April 24, 2019
PCC West, 100 Level, Room 102 C

8:00 AM - GI01.05.01
Inverse Design of Thermoelectric Materials—Results and the Case for a Database of Charge Scattering Times

Kedar Hippalgaonkar1,2

Institute of Materials Research and Engineering1,Nanyang Technological University2

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8:15 AM - GI01.05.02
Pursuing the Next-Generation of High-Efficiency Phosphors with Machine Learning

Jakoah Brgoch1

University of Houston1

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8:30 AM - GI01.05.03
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Chi Chen1,Weike Ye1,Yunxing Zuo1,Chen Zheng1,Shyue Ping Ong1

University of California, San Diego1

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8:45 AM - *GI01.05.04
Automated Machine Learning Applied to Diverse Materials Design Problems

Anubhav Jain1

Lawrence Berkeley National Laboratory1

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9:15 AM - *GI01.05.05
JARVIS-ML—Physics Inspired AI for Fast and Accurate Screening of Materials

Francesca Tavazza1,Kamal Choudhary1,Brian DeCost1

National Institute of Standards and Technology1

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9:45 AM -
BREAK


GI01.06: Automation of Materials Research—Synthesis and Characterization
Session Chairs
Jason Hattrick-Simpers
Santosh Suram
Wednesday AM, April 24, 2019
PCC West, 100 Level, Room 102 C

10:15 AM - *GI01.06.01
Active Learning Driven Mapping of Combinatorial Libraries of Functional Materials

Ichiro Takeuchi1

University of Maryland 1

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10:45 AM - *GI01.06.02
Exploring the Materials Genome Through Nanomaterial Megalibraries

Chad Mirkin1

Northwestern University1

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11:15 AM - *GI01.06.03
Generating the Largest Experimental Materials Database and Initial Findings on the Science It Enables

John Gregoire1

Joint Center for Artificial Photosynthesis, California Institute of Technology1

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11:30 AM - GI01.06.04
Reversible Perovskite Electrocatalysts for Oxygen Reduction / Oxygen Evolution for Fuel Cells and Metal-Air Batteries

Brian Hayden1,Kieren Bradley2,Kyriakos Giagloglou2,Hugo Jungius2,Chris Vian2

University of Southampton1,Ilika Technologies2

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GI01.07: Accelerating Materials Research with Machine Learning II
Session Chairs
Muratahan Aykol
Elsa Olivetti
Logan Ward
Wednesday PM, April 24, 2019
PCC West, 100 Level, Room 102 C

1:30 PM - *GI01.07.01
Predicting Properties is not Enough—Realizing the Full Potential of Machine Learning in Materials Discovery

Bryce Meredig1

Citrine Informatics1

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2:00 PM - GI01.07.02
Design of Molecules with High Hole Mobility by Applying Machine-Learning Technologies

Nobuyuki Matsuzawa1,Hideyuki Arai1,Masaru Sasago1,Eiji Fujii1,Erin Antono2,James Saal2

Panasonic Corporation1,Citrine Informatics2

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2:15 PM - GI01.07.03
Machine Learning Electronic Transport Properties of Complex Semiconductor Architectures

Sanghamitra Neogi1,Artem Pimachev1

University of Colorado1

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2:30 PM -
BREAK


GI01.08: Integrated Materials Research with Data-Driven Methods and Machine-Learning
Session Chairs
Edward Kim
Logan Ward
Wednesday PM, April 24, 2019
PCC West, 100 Level, Room 102 C

3:30 PM - *GI01.08.01
Accelerating Materials Design and Discovery by Combing High-Throughput Computations, Experiments and Machine Learning

Santosh Suram1

Toyota Research Institute1

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4:00 PM - *GI01.08.02
D3BATT—Data-Driven Design of Li-Ion Batteries

Peter Attia1,William Chueh1

Stanford University1

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4:30 PM - GI01.08.03
Sematic Segmentation of X-Ray Tomography and Serial Sectioning Images Using Convolutional Neural Networks

Tiberiu Stan1,Zachary Thompson1,Peter Voorhees1

Northwestern University1

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4:45 PM - GI01.08.04
Segmentation in 3D Atom Probe Tomography Using Deep Learning-Based Edge Detection

Sandeep Madireddy1,Ding-Wen Chung2,Troy Loeffler1,Olle Heinonen1,3,Prasanna Balaprakash1,David Seidman2

Argonne National Laboratory1,Northwestern University2,Argonne National laboratory3

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