Meetings & Events

 

2015 MRS Fall Meeting Logo2015 MRS Fall Meeting & Exhibit

November 29-December 4, 2015 | Boston
Meeting Chairs: T. John Balk, Ram Devanathan, George G. Malliaras, Larry A. Nagahara, Luisa Torsi

Symposium AAA : Big Data and Data Analytics for Materials Science

2015-11-30   Show All Abstracts

Symposium Organizers

Shaul Aloni, Lawrence Berkeley National Laboratory
Gerd Ceder, Massachusetts Institute of Technology
Lawrence Drummy, Air Force Research Laboratory
Dmitri Zakharov, Brookhaven National Laboratory
AAA2: Modeling and Data Mining I
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Monday PM, November 30, 2015
Sheraton, 3rd Floor, Hampton

2:30 AM - *AAA2.01
The ADES Model for Computational Science

Giovanni Pizzi 1 Andrea Cepellotti 1 Boris Kozinsky 2 Nicola Marzari 1

1EPFL Lausanne Switzerland2Robert Bosch RTC Cambridge United States

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3:00 AM - *AAA2.02
The ldquo;NoMaD (Novel Materials Discovery) Center of Excellencerdquo;: Challenges and Solutions to Build a Code-Independent Data Base for Computational Materials Science and to Identify Causal Models in Machine Learning

Matthias Scheffler 1 2

1Fritz Haber Institute of the Max Planck Society Berlin Germany2University of California Santa Barbara Santa Barbara United States

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3:30 AM - *AAA2.03
Current Efforts in Large Data Processing and Computation

Peter Wang 1

1Continuum Analytics Austin United States

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4:00 AM -
Break

4:30 AM - AAA2.04
Modeling Diffuse Scattering Using First-Principles Based Methods

Anh Ngo 1 Justin Wozniak 2 Jonathan Morris 1 Stephan Rosenkranz 1 Raymond Osborn 1 Peter Zapol 1

1Argonne National Laboratory Lemont United States2Argonne National Laboratory Lemont United States

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4:45 AM - AAA2.05
High-Throughput GW

Michiel Jan Van Setten 1 Matteo Giantomassi 1 Xavier Gonze 1 Geoffroy Hautier 1 Rignanese Gian-Marco 1

1Universite Catholique de Louvain Louvain-la-Neuve Belgium

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5:00 AM - AAA2.06
Machine Learning Bandgaps of Double Perovskites for Water-Splitting Applications

Arun Kumar Mannodi Kanakkithodi 1 Ghanshyam Pilania 2 Blas P. Uberuaga 2 Ramamurthy Ramprasad 1 James Gubernatis 3 Turab Lookman 4

1Univ of Connecticut Storrs United States2Los Alamos National Laboratory Los Alamos United States3Los Alamos National Laboratory Los Alamos United States4Los Alamos National Laboratory Los Alamos United States

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5:15 AM - AAA2.07
From Curated Data to Phenomenological Theory: The Example of Dielectric Breakdown

Chiho Kim 1 Ghanshyam Pilania 2 Rampi Ramprasad 1

1University of Connecticut Storrs United States2Los Alamos National Laboratory Los Alamos United States

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5:30 AM - AAA2.08
Finding the Exact Ground State of a Generalized Ising Model by Convex Optimization and MAX-SAT

Wenxuan Huang 1 Daniil Kitchaev 1 Stephen Dacek 1 Ziqin Rong 1 Alexander Urban 1 Shan Cao 1 Chuan Luo 2 Gerbrand Ceder 1

1Massachusetts Institute of Technology Cambridge United States2Key Laboratory of High Confidence Software Technologies, Peking University, Beijing, China Beijing China

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AAA1: Pushing the Data Limits of Experimental Characterization I
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Monday AM, November 30, 2015
Sheraton, 3rd Floor, Hampton

9:30 AM - *AAA1.01
Automated Image Processing Scheme to Measure Phase Transformations as a Function of Time from Atomic-Scale Video Data

Renu Sharma 2 Zahra Hussaini 2 Pin-Ann Lin 1 2 Wei-Chang Yang 1 2

1University of Maryland College Park United States2NIST Gaithersburg United States

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10:00 AM - AAA1.02
Tomographic and Hyperspectral Analysis of Porous Three-Dimensional Solid Oxide Fuel Cell Cathodes at Multiple Length Scales

Joshua Aaron Taillon 1 Christopher Pellegrinelli 1 Yilin Huang 1 Eric D. Wachsman 1 Lourdes G. Salamanca-Riba 1

1University of Maryland College Park United States

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10:15 AM - AAA1.03
A Multimodal View of Ferroelectrics at the Mesoscale by X-Rays and Scanning Probes

Nouamane Laanait 1 Zhan Zhang 2 Mahmut Okatan 1 Christian Schlepuetz 2 Qian Li 1 Nina Balke 1 Sergei V. Kalinin 1

1Oak Ridge National Laboratory Oak Ridge United States2Argonne National Lab Lemont United States

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10:30 AM - AAA1.04
Algorithms of Two-Dimensional X-Ray Diffraction

Bob B He 1

1Bruker AXS Hercules United States

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10:45 AM - AAA1.05
Advanced Mathematical Techniques for Investigations of the Tip-Induced Ferroelectric Switching

Anton V. Ievlev 1 Sergei V. Kalinin 1

1Oak Ridge National Laboratory Oak Ridge United States

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11:00 AM -
Break

11:30 AM - *AAA1.06
Developing a Big Data Ecosystem for Imaging, Spectroscopy and Diffraction at Brookhaven National Laboratory

Eric A. Stach 1 Simon J. Billinge 1 2 Stuart Wilkins 1 James Misewich 1 John Hill 1 Dmitri Zakharov 1 Shigeki Misawa 1

1Brookhaven National Laboratory Upton United States2Columbia University New York United States

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12:00 PM - AAA1.07
Improving and Understanding Material Contrast in Multifrequency Atomic Force Microscopy

Daniel Forchheimer 1 2 Riccardo Borgani 1 Daniel Platz 3 Robert Forchheimer 4 David Haviland 1

1KTH Royal Institute of Technology Stockholm Sweden2Intermodulation Products AB Solna Sweden3Max-Planck-Institute for the Physics of Complex Systems Dresden Germany4Linkouml;ping University Linkouml;ping Sweden

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12:15 PM - AAA1.08
Advanced, Open, and Repeatable Electron Tomography: A Platform for Visualization and Reconstruction of 3D Material

Robert Hovden 1 Marcus Hanwell 2 Utkarsh Ayachit 2 Yi Jiang 3 Robert Maynard 2 Elliot Padgett 1 David Muller 1

1Cornell University Ithaca United States2Kitware Inc. Clifton Park United States3Cornell University Ithaca United States

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12:30 PM - AAA1.09
Compressive TEM/STEM Image/Video Acquisition

Andrew Stevens 1 2 Quentin M. Ramasse 3 Libor Kovarik 1 Patricia Abellan 3 Dorothea Muecke-Herzberg 3 Michael Sarahan 3 Lawrence Carin 2 Nigel Browning 1

1Pacific Northwest National Laboratory Richland United States2Duke University Durham United States3SuperSTEM Warrington United Kingdom

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2015-12-01   Show All Abstracts

Symposium Organizers

Shaul Aloni, Lawrence Berkeley National Laboratory
Gerd Ceder, Massachusetts Institute of Technology
Lawrence Drummy, Air Force Research Laboratory
Dmitri Zakharov, Brookhaven National Laboratory
AAA4: Pushing the Data Limits of Experimental Characterization II
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Tuesday PM, December 01, 2015
Sheraton, 3rd Floor, Hampton

2:30 AM - *AAA4.01
Translating Big Data into Better Information for TEM: The Camera Evolves

Cory Czarnik 1

1Gatan Inc Pleasanton United States

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3:00 AM - *AAA4.02
Real-Time Data Pipeline and Analysis Using Spot and HIPGISAXS

Alexander Hexemer 1 Chenhui Zhu 1 Eric Schaible 1 Dinesh Kumar 1 Singanallur Venkatakrishnan 1 Ronald Pandolfi 1 Jack Deslippe 1 Eli Dart 1 Craig Tull 1 Jack Wells 2

1Lawrence Berkeley National Lab Berkeley United States2ORNL Oak Ridge United States

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3:30 AM - AAA4.03
Real-Time Collection, Visualization, and Processing of Electrochemical-Acoustic Time-of-Flight Data from Battery Cycling Experiments

Andrew Hsieh 1 Shoham Bhadra 1 Peter Gjeltema 1 Daniel Steingart 1 2 Barry Van Tassell 1

1Princeton Univ Princeton United States2Andlinger Center for Energy and the Environment Princeton United States

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3:45 AM - AAA4.04
New Materials Information from Improved Quantifiability of STEM Images and Spectrum Images

Andrew Yankovich 1 Chenyu Zhang 1 Alexander Kvit 1 Jie Feng 1 Thomas Slater 2 Sarah Haigh 2 Niklas Mevenkamp 3 Benjamin Berkels 3 Dane Morgan 1 Paul M. Voyles 1

1Univ of Wisconsin Madison United States2University of Manchester Manchester United Kingdom3RWTH Aachen Aachen Germany

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4:00 AM -
Break

4:30 AM - AAA4.05
Multi-Beam SEM Technology for High Throughput Imaging

Kyle Crosby 1 Pascal Anger 1 Tomasz Garbowski 2 Anna Lena Eberle 2 Dirk Zeidler 2

1Carl Zeiss Microscopy LLC Thornwood United States2Carl Zeiss Microscopy GmbH Oberkochen Germany

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4:45 AM - AAA4.06
Big Data in Nanoscience: Improved Measurement Speed and Spatial Resolution by Streaming the Complete Information from the Detector

Suhas Somnath 1 Alex Belianinov 1 Sergei V. Kalinin 1 Stephen Jesse 1

1Oak Ridge National Laboratory Oak Ridge United States

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5:00 AM - AAA4.07
Molecular Identification through Data Mining on Raman Spectroscopy

Yun Liu 1 Nicola Ferralis 1 Jeffrey C. Grossman 1

1MIT Cambridge United States

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5:15 AM - AAA4.08
Large-scale Fiber Tracking from Microscopic Composite Images

Youjie Zhou 1 Hongkai Yu 1 Jeff Simmons 2 Yuewei Lin 1 Yang Mi 1 Song Wang 1

1University of South Carolina Columbia United States2Air Force Research Laboratory Wright-Patterson AFB United States

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5:30 AM - AAA4.09
Electron Tomography and Model-Based Iterative Reconstruction Applied to Polymer Nanocomposites

Ming-Siao Hsiao 1 Lawrence F. Drummy 1

1Air Force Research Laboratory Wright Patterson AFB United States

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AAA5: Poster Session: Advanced Data Analytics in Materials
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Tuesday PM, December 01, 2015
Hynes, Level 1, Hall B

9:00 AM - AAA5.01
Anomalies of Gradient Fields in Fiber Microstructures

Stephen Bricker 1 2 Craig Przybyla 2 Jeff Simmons 2 Russell Hardie 3

1University Of Dayton Research Institute Dayton United States2Air Force Research Lab Wright Patterson AFB United States3University of Dayton Dayton United States

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9:00 AM - AAA5.02
Molecular Dynamics Simulations for Ionizable Organic Materials

Ying Li 1

1Argonne National Laboratory Argonne United States

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AAA3: Signal Processing and Advanced Data Analytics in Materials I
Session Chairs
Shaul Aloni
Lawrence Drummy
Gerbrand Ceder
Dmitri Zakharov
Tuesday AM, December 01, 2015
Sheraton, 3rd Floor, Hampton

9:30 AM - *AAA3.01
Coercive Region-Level Registration for Multi-Modal Images

Alfred Hero 1 Yu Hui Chen 1 Jeffrey Simmons 2 Dennis Wei 3 Gregory Newstadt 4

1University of Michigan Ann Arbor United States2Air Force Research Laboratory Dayton United States3IBM Yorktown Heights United States4Google Pittsburgh United States

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10:00 AM - *AAA3.02
Model Based Analytics of 3-D Microstructural Observations in SiC/SiC Composites

Jeff Simmons 1 Stephen Bricker 2 Craig Przybyla 1 Youjie Zhou 3 Honkai Yu 3 Song Wang 3 Dae Woo Kim 4 Mary Comer 4

1Air Force Research Laboratory Dayton United States2University of Dayton Research Institute Dayton United States3University of South Carolina Columbia United States4Purdue University West Lafayette United States

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10:30 AM - AAA3.03
Probability Theory and Materials Engineering

Mary Comer 1

1Purdue University West Lafayette United States

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10:45 AM -
Break

11:15 AM - AAA3.04
Robust Model-Based Phase Ptycho-Tomographic Reconstruction

Singanallur Venkatakrishnan 1 Maryam Farmand 1 Young-Sang Yu 1 Hasti Majidi 2 Alexander Hexemer 1 Klaus Van Benthem 2 David Shapiro 1

1Lawrence Berkeley National Lab Berkeley United States2University of California Davis United States

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11:30 AM - AAA3.05
Inferring Structure-Property Models for Grain Boundaries via Localization

Oliver Johnson 3 Lin Li 1 Michael J. Demkowicz 2 Christopher A. Schuh 2

1University of Alabama Tuscaloosa United States2Massachusetts Institute of Technology Cambridge United States3Brigham Young University Provo United States

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11:45 AM - AAA3.06
Exploiting Redundancy in Microscope Observations to Produce Sharper Tomographic Reconstructions

Suhas Sreehari 1 S. V. Venkatakrishnan 2 Jeffrey Simmons 3 Lawrence Drummy 3 Charles A Bouman 1

1Purdue University West Lafayette United States2Lawrence Berkeley National Laboratory Berkeley United States3Air Force Research Laboratory Dayton United States

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2015-12-02   Show All Abstracts

Symposium Organizers

Shaul Aloni, Lawrence Berkeley National Laboratory
Gerd Ceder, Massachusetts Institute of Technology
Lawrence Drummy, Air Force Research Laboratory
Dmitri Zakharov, Brookhaven National Laboratory
AAA7: Signal Processing and Advanced Data Analytics in Materials II
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Wednesday PM, December 02, 2015
Sheraton, 3rd Floor, Hampton

2:30 AM - *AAA7.01
Photon-Limited Data Analysis in Material Structure Identification

Rebecca Willett 1

1University of Wisconsin Madison United States

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3:00 AM - *AAA7.02
Integrated Imaging for Material and Biological Sciences

Charles A Bouman 1

1Purdue University West Lafayette United States

Show Abstract

3:30 AM -
Break

4:30 AM - *AAA7.03
Bayesian Optimal Experimental Design for Materials: Formulations and Computational Strategies

Youssef Marzouk 1 Michael J. Demkowicz 1 Raghav Aggarwal 1 Chi Feng 1

1Massachusetts Institute of Technology Cambridge United States

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5:00 AM - AAA7.04
Atomic Resolution Image as a Markov Random Field: Seeing through Noise

Artem Maksov 5 Oleg Ovchinnikov 1 Sergei V. Kalinin 2 3 Bobby Sumpter 3 4

1Vanderbilt University Nashville United States2Oak Ridge National Laboratory Oak Ridge United States3Oak Ridge National Laboratory Oak Ridge United States4Oak Ridge National Laboratory Oak Ridge United States5University of Tennessee/Oak Ridge National Laboratory Knoxville United States

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5:15 AM - AAA7.05
Demonstration of Bayesian Experimental Design for Parameter Estimation in Materials Research

Raghav Aggarwal 1 Michael J. Demkowicz 1 Youssef Marzouk 1

1MIT Cambridge United States

Show Abstract

5:30 AM - AAA7.06
Data Analytics for Mining Structure-Property-Processing Linkages in Hierarchical Materials

Surya R. Kalidindi 1

1Georgia Tech Atlanta United States

Show Abstract

5:45 AM -
Session Break

6:15 AM - AAA7.07
Open Data Policy for Materials Science Focus Group

Co-hosted by MRS Policy Subcommittee and Symposium AAA 1

1MRS Warrendale United States

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AAA6: Modeling and Data Mining II
Session Chairs
Lawrence Drummy
Shaul Aloni
Gerbrand Ceder
Dmitri Zakharov
Wednesday AM, December 02, 2015
Sheraton, 3rd Floor, Hampton

9:30 AM - *AAA6.01
Forward Modeling for Electron Backscatter Diffraction Pattern Simulations

Marc De Graef 1

1Carnegie Mellon Univ Pittsburgh United States

Show Abstract

10:00 AM - *AAA6.02
Application of the Materials Project Database and Data Mining towards the Design of Thermoelectric and Functional Materials

Anubhav Jain 1 Geoffroy Hautier 2 Wei Chen 1 Bryce Meredig 3 Umut Aydemir 4 Hong Zhu 5 Zachary M Gibbs 4 Saurabh Bajaj 4 Jan-Hendrik Pohls 6 Danny Broberg 7 Mary Anne White 6 Mark Asta 7 G. Jeffrey Snyder 4 Gerbrand Ceder 5 Kristin Aslaug Persson 1

1Lawrence Berkeley National Laboratory Berkeley United States2Universite Catholique de Louvain Louvain-la-Neuve Belgium3Citrine Informatics Redwood City United States4California Institute of Technology Pasadena United States5Massachusetts Institute of Technology Cambridge United States6Dalhousie University Halifax Canada7UC Berkeley Berkeley United States

Show Abstract

10:30 AM - AAA6.03
Using Machine Learning for Soft-Matter Crystal Discovery and Design

Pablo F Damasceno 1 Carolyn L. Phillips 2 Michael Engel 3 Sharon Glotzer 1 3 4

1Univ of Michigan Ann Arbor United States2Argon National Lab Chicago United States3University of Michigan Ann Arbor United States4University of Michigan Ann Arbor United States

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10:45 AM -
Break

11:15 AM - AAA6.04
Bellerophon Environment for Analysis of Materials (BEAM): A High Performance Computing Link to Understanding Material Properties

Alex Belianinov 1 Eric J Lingerfelt 1 Oleg Ovchinnikov 1 Erik Endeve 1 Mahmut Okatan 1 Richard K Archibald 1 Stephen Jesse 1

1Oak Ridge National Lab Oak Ridge United States

Show Abstract

11:30 AM - AAA6.05
Computer Vision Descriptors for Large-Scale Data Mining of Microstructural Images

Brian DeCost 1 Elizabeth Holm 1

1Carnegie Mellon University Pittsburgh United States

Show Abstract

11:45 AM - AAA6.06
High Performance Computing Tools for Cross Correlation of Multi-Dimensional Data Sets across Instrument Platforms

Alex Belianinov 1 Anthony Gianfrancesco 1 Eric J Lingerfelt 1 Richard K Archibald 1 Sergei V. Kalinin 1 Stephen Jesse 1

1Oak Ridge National Lab Oak Ridge United States

Show Abstract

12:00 PM - AAA6.07
High-Throughput Detection and Data Mining of Coordination Environments in Solids

David Waroquiers 4 Xavier Gonze 4 Rignanese Gian-Marco 4 Cathrin Welker-Nieuwoudt 1 Frank Rosowski 2 Michael Goebel 1 Stephan Schenk 1 Peter Deglmann 3 Robert Glaum 3 Geoffroy Hautier 4

1BASF SE Ludwigshafen Germany2UniCat BASF JointLab Berlin Germany3Universitauml;t Bonn Bonn Germany4Universiteacute; catholique de Louvain Louvain-la-Neuve Belgium

Show Abstract

12:15 PM - AAA6.08
ldquo;NanoMinerdquo;: An Integrated System for Material Informatics for Polymer Nanocomposites

He Zhao 1 Xiaolin Li 1 Wei Chen 1 Linda S. Schadler 2 L Catherine Brinson 1

1Northwestern University Evanston United States2Rensselaer Polytechnic Institute Troy United States

Show Abstract