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2011 MRS Fall Meeting & Exhibit

November 28-December 2, 2011 | Boston

Meeting Chairs: Cammy R. Abernathy, Paul V. Braun, Masashi Kawsaki, Kathyn J. Wahl

Symposium UU : Combinatorial and High-throughput Methods in Materials Science

2011-11-28   Show All Abstracts

Symposium Organizers

Jan Genzer North Carolina State University
Yuji Matsumoto Tokyo Institute of Technology
James B. Miller Carnegie Mellon University
Radislav A. Potyrailo GE Global Research Center
UU1: Applications to Electronic Materials
Session Chairs
Jan Genzer
Monday AM, November 28, 2011
Hampton (Sheraton)

9:45 AM -
Remarks/Welcome

10:00 AM - UU1.1
Composition Spread Study of Tantalum Based Oxides.

Taro Naoi 1 , R. Bruce van Dover 1
1 , Cornell University, Ithaca, New York, United States

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10:15 AM - UU1.2
Combinatorial Deposition and High-Throughput Characterization of Novel Quaternary P-Type Transparent Conductive Oxide Thin Films.

Andriy Zakutayev 1 , John Perkins 1 , Philip Parilla 1 , Nicodemus Widjonarko 1 2 , Ajaya Sigdel 1 3 , Joseph Berry 1 , David Ginley 1
1 National Center for Photovoltaics, National Renewable Energy Laboratory, Golden, Colorado, United States, 2 Department of Physics, University of Colorado, Boulder, Colorado, United States, 3 Department of Physics and Astronomy, University of Denver, Denver, Colorado, United States

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10:30 AM - UU1.3
Deposition of Alloy and Semiconductor Thin Film Chemical Composition Gradients Using Bipolar Electrochemistry.

Curtis Shannon 1 , Rajakumari Ramaswamy 1 , Sridevi Ramakrishnan 1
1 , Auburn University, Auburn, Alabama, United States

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10:45 AM -
BREAK

11:15 AM - **UU1.4
Combinatorial Exploration of New TCO Films by Using RF Sputtering and Their Application in Optoelectronic Devices.

Tae-Won Kim 1 , Gi-Soek Heo 2 , Ho-Sung Kim 1 , Jong-Ho Lee 2 , Kwang-Young Kim 2
1 Energy & applied optics research group, Korea Institute of Industrial Technology, Gwangju Korea (the Republic of), 2 NCNE, Korea Institute of industrial technology, Gwangju Korea (the Republic of)

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11:45 AM - UU1.5
Combinatorial Synthesis and Photophysical Mechanisms of Spectrally Selective Upconverting Nanoparticles.

Emory Chan 1 , Gang Han 2 , Daniel Gargas 1 , James Schuck 1 , Bruce Cohen 1 , Delia Milliron 1
1 The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California, United States, 2 Biochemistry and Molecular Pharmacology, UMass Medical School, Worcester, Massachusetts, United States

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12:00 PM - UU1.6
Combinatorial Pulsed Laser Deposition of Fe/MgO Discontinuous Metal-Insulator Multilayers.

Alberto Garcia-Garcia 1 , Jose Pardo 2 3 , Elvira Navarro 2 , Pavel Strichovanec 2 , Andrii Vovk 4 5 , Luis Morellon 2 6 , Pedro Algarabel 6 7 , M. Ibarra 2 6
1 , Centre d’Elaboration de Matériaux et d’Etudes Structurales, CNRS, 31055 Toulouse France, 2 Instituto de Nanociencia de Aragón (INA), Universidad de Zaragoza, 50018 Zaragoza Spain, 3 Departamento de Ciencia y Tecnología de Materiales y Fluidos, Universidad de Zaragoza, 50018 Zaragoza Spain, 4 Centro de Física da Matéria Condensada, Universidade de Lisboa, 1749-016 Lisboa Portugal, 5 Institute of Magnetism, NAS of Ukraine, 03142 Kyiv Ukraine, 6 Departamento de Física de la Materia Condensada, Universidad de Zaragoza, 50009 Zaragoza Spain, 7 Instituto de Ciencia de Materiales de Aragón (ICMA), Universidad de Zaragoza-CSIC, 50009 Zaragoza Spain

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12:15 PM - UU1.7
High-Throughput Screening of Si-Ni-Based Metal Flux for SiC Solution Growth by Using a High-Temperature Vacuum Laser Microscope.

Shingo Maruyama 1 , Yuji Matsumoto 1
1 Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama Japan

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12:30 PM - UU1.8
All Oxide Photovoltaics: A Combinatorial Approach to Synthesize Next Generation Light Absorbers.

Sven Ruehle 1 , Benjamin Kupfer 1 , Hannah-Noa Barad 1 , Yaniv Bouhadana 1 , Arie Zaban 1
1 Chemistry, Bar Ilan University, Ramat Gan Israel

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UU2: Accelerated Methods for Preparation and Characterization
Session Chairs
Ichiro Takeuchi
Monday PM, November 28, 2011
Hampton (Sheraton)

2:45 PM - **UU2.1
High-Throughput Materials Discovery by Inkjet-Printing of Composition Spread Libraries and by Newly Designed Parallel Reactors for Corrosive Reaction Media.

Klaus Stoewe 1 , Wilhelm Maier 1 , Boris Weidenhof 1 , Maximilian Weber 1 , Markus Hammes 1 , Marion Roth 1 , Martin Valtchev 1 , Jonas Loskyll 1
1 Technical Chemistry, Saarland University, Saarbruecken Germany

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3:15 PM - UU2.2
High Speed, High-Throughput, Atomic Force Microscopy (AFM).

Stephen Minne 1 , Lars Mininni 1 , Bede Pittenger 1 , Shuiqing Hu 1 , Johannes Kindt 1 , Chanmin Su 1
1 , Bruker Corporation, AFM Division, Santa Barbara, California, United States

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3:30 PM - UU2.3
Hydrogen Screening with Ion Beam Analysis.

Michael Kieschnick 1 2 , Alan Savan 2 , Dario Grochla 2 , Detlef Rogalla 1 , Hans-Werner Becker 1 , Jan Meijer 1 , Alfred Ludwig 2
1 RUBION, Ruhr University Bochum, Bochum Germany, 2 Materials for microsystems, Ruhr University Bochum, Bochum Germany

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3:45 PM -
BREAK

4:15 PM - **UU2.4
COMET Inc., Combinatorial Material Exploring and Technology: A Venture Laboratory Launched by NIMS.

Setsu Suzuki 1
1 , Comet Inc., Tsukuba, Ibaraki, Japan

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4:45 PM - UU2.5
In Situ, Real-Time Resolved Diffraction Methods in Thermo-Mechanic Simulation.

Klaus-Dieter Liss 1
1 The Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales, Australia

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5:00 PM - UU2.6
MEMS Tools for Combinatorial Materials Science.

Sven Hamann 1 , Robert Meyer 1 , Alexander Siegel 1 , Sigurd Thienhaus 1 , Dario Grochla 1 , Alfred Ludwig 1
1 Materials, Ruhr-University Bochum, Bochum Germany

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5:15 PM - UU2.7
Multiparametric Exploration and Optimization of Nanoparticle Syntheses Based on a Fully Automated Synthesis Setup with Integrated Online Spectroscopy.

Simon Einwaechter 1 2 , Frank Riehle 1 2 , Michael Krueger 1 2
1 Freiburg Materials Research Centre (FMF), University of Freiburg, Freiburg Germany, 2 Institute for Microsystems Technology (IMTEK), University of Freiburg, Freiburg Germany

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5:30 PM - UU2.8
High-Throughput Screening by Two-Dimensional XRD.

Bob He 1
1 , Bruker AXS, Madison, Wisconsin, United States

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2011-11-29   Show All Abstracts

Symposium Organizers

Jan Genzer North Carolina State University
Yuji Matsumoto Tokyo Institute of Technology
James B. Miller Carnegie Mellon University
Radislav A. Potyrailo GE Global Research Center
UU3: Applications in Polymeric and Biological Systems
Session Chairs
Andrew Gellman
Tuesday AM, November 29, 2011
Hampton (Sheraton)

9:45 AM - **UU3.1
Combinatorial and High-Throughput Creep Measurements of Polymer Thin Films.

Christopher Stafford 1
1 Polymers Division, Natl Inst of Standards & Tech, Gaithersburg, Maryland, United States

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10:15 AM - **UU3.2
Single Molecule Tracking as a Probe of Stimulus-Responsive Behavior in Gradient-Presenting Materials.

Paul Bohn 2 1 , Lindsay Elliott 2 , Susan Fullerton-Shirey 3
2 Dept. of Chemistry & Biochemistry, Univ of Notre Dame, Notre Dame, Indiana, United States, 1 Dept. of Chemical & Biomolecular Engineering, Univ of Notre Dame, Notre Dame, Indiana, United States, 3 Dept. of Electrical Engineering, Univ of Notre Dame, Notre Dame, Indiana, United States

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10:45 AM - UU3.3
Rapid Determination of Reactivity Ratios for Ring Opening Polymerization of Cyclic Esters Using In Situ Raman Monitoring.

Matthew Hunley 1 , Santanu Kundu 1 , Kathryn Beers 1
1 Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland, United States

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11:00 AM -
BREAK

11:30 AM - **UU3.4
Adhesion Studies with Morphological Gradients.

Nicholas Spencer 1
1 , ETH Zurich, Zurich Switzerland

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12:00 PM - UU3.5
Droplet-Based Microrheometry Methods for Evaluation of Viscoelastic Effects at Fluid Interfaces.

Kendra Erk 1 , Steven Hudson 1 , Frederick Phelan Jr. 1 , Jonathan Schwalbe 3 , Jeffrey Martin 2
1 Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland, United States, 3 , MITRE Corporation, McLean, Virginia, United States, 2 , Unilever Research and Development, Trumbull, Connecticut, United States

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12:15 PM - UU3.6
Generating Complex Materials in Microfluidic Devices.

Maximilien Stoffel 1 , Sebastian Wahl 1 , Elise Lorenceau 1 , Reinhard Hohler 1 , Bruno Mercier 1 , Dan Angelescu 1
1 ESYCOM Laboratory (ESIEE Paris), LPMDI Laboratory (UMLV), Universite Paris-Est , Noisy le Grand France

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UU4: Applications in Catalysis and Batteries
Session Chairs
Radislav Potyrailo
Tuesday PM, November 29, 2011
Hampton (Sheraton)

2:30 PM - **UU4.1
The Discovery and Optimisation of Materials Synthesised by a High-Throughput Physical Vapour Deposition Methodology Based on MBE Sources.

Brian Hayden 1
1 Chemistry, University of Southampton, Southampton United Kingdom

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3:00 PM - UU4.2
Photocurrent and Structural Screening of Combined Composition-Thickness Gradient Libraries of Mixed-Metal Oxides for Use as Photoanode Materials in Solar Water Splitting.

Martin Hofmann 1 , Kirill Sliozberg 2 , Fabio La Mantia 3 , Radim Beranek 2 5 , Wolfgang Schuhmann 2 3 4 , Alfred Ludwig 1 4
1 Materials for Microtechnology, Institute for Materials, Ruhr University Bochum, Bochum, NRW, Germany, 2 Analytical Chemistry, Ruhr University Bochum, Bochum, NRW, Germany, 3 Center for Electrochemical Sciences, Ruhr University Bochum, Bochum, NRW, Germany, 5 Inorganic Chemistry II, Ruhr University Bochum, Bochum, NRW, Germany, 4 Materials Research Department, Ruhr University Bochum, Bochum, NRW, Germany

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3:15 PM - UU4.3
High-Throughput Screening of Non-Pt Containing Catalysts for Ethanol Oxidation in Low Temperature Fuel Cells.

Anna Legard 1 , Michele Tague 2 , John Gregoire 3 , Eva Smith 1 , Francis DiSalvo 2 , Hector Abruna 2 , Bruce van Dover 1
1 Materials Science & Engineering, Cornell University, Ithaca, New York, United States, 2 Chemistry & Chemical Biology, Cornell University, Ithaca, New York, United States, 3 School of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts, United States

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3:30 PM - UU4.4
Discovery of 5V Cathode and Electrolyte Materials via High-Throughput Methods.

Steven Kaye 1 , Bin Li 1 , Vinay Bhat 1 , Jingning Shan 1 , Mark Bailey 1 , Doron Greenberg 1 , Risa Olugbile 1 , Cory O'Neil 1 , Conor Riley 1 , Jen-Hsien Yang 1
1 , Wildcat Discovery Technologies, San Diego, California, United States

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3:45 PM -
BREAK

4:15 PM - **UU4.5
High-Throughput Approaches to Study of Alloy Catalysis and Structure Sensitivity.

Andrew Gellman 1 3 , Petro Kondratyuk 1 3 , Deepika Priyadarshini 1 3 , Esteban Broitman 1 , James Miller 1 3 , Timothy Lawton 2 , Charles Sykes 2
1 Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania, United States, 3 , National Energy Technology Laboratory, Pittsburgh, Pennsylvania, United States, 2 Chemistry, Tufts University, Medford, Massachusetts, United States

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4:45 PM - UU4.6
Combinatorial Exploration of Newly Pseudo-Quintenary Layered-Type Li-Ni-Co-Fe-Ti Oxides.

Kenjiro Fujimoto 1 , Tomoyuki Kanno 1 , Keita Ikezawa 1 , Yuichiro Imanari 2 , Maiko Sakai 2 , Kenji Nakane 2 , Shigeru Ito 1
1 , Tokyo University of Science, Noda Japan, 2 Tsukuba Research Laboratory, Sumitomo Chemical Co., Ltd., Tsukuba Japan

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5:00 PM - UU4.7
High-Throughput Screening of Catalytic Materials for JP-8 Fuel Reformation.

John Bedenbaugh 2 1 , Jangam Ashok 1 , Andrew Chien 1 , Sungtak Kim 1 , Shahriar Salim 1 , Mary Glascock 1 , Jochen Lauterbach 1
2 Chemical Engineering, University of Delaware, Newark, Delaware, United States, 1 Chemical Engineering, University of South Carolina, Columbia, South Carolina, United States

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5:15 PM - UU4.8
Combinatorial Study of Ionic Conductivity in Y-Zr-O and Sc-Y-Zr-O Thin Films.

Chen Yuan 1 , Natalie Becerra 1 , Alexander Chang 1 , Huanan Duan 1 , Leo Small 1 , John Gregoire 1 , Robert van Dover 1
1 materials science and engineering, Cornell University, Ithaca, New York, United States

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UU5: Poster Session
Session Chairs
James Miller
Tuesday PM, November 29, 2011
Exhibition Hall C (Hynes)

9:00 PM - UU5.10
Algorithm for Peak Detection in Powder X-Ray Diffraction Data Using Wavelet Transformations.

John Gregoire 1 , Robert van Dover 2 , Darren Dale 3
1 School of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts, United States, 2 Materials Science and Engineering, Cornell University, Ithaca, New York, United States, 3 Cornell High energy Synchrotron Source, Cornell University, Ithaca, New York, United States

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9:00 PM - UU5.11
Microstructure, Composition, and Electrical Property of Continuous Composition Spread Pb-Ti-O System.

Hanjong Paik 1 , Taro Naoi 1 , John Gregoire 1 , Bruce van Dover 1
1 Materials Science and Engineering, Cornell Univ, Ithaca, New York, United States

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9:00 PM - UU5.12
Solution Based Nano-Ink Synthesis for Renewable Energy Materials.

John Lemmon 1 , Guosheng Li 1 , Qian Huang 1 , Feng Chen 1 , Jun Cui 1
1 , Pacific Northwest National Laboratory, Richland, Washington, United States

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9:00 PM - UU5.13
Combinatorial Search of Rare-Earth Free Permanent Magnets.

Tieren Gao 1 , Ichiro Takeuchi 1
1 , University of Maryland,, College Park, Maryland, United States

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9:00 PM - UU5.14
Pd-Ti-Nb Thin Film Membranes for Hydrogen Separation.

Fatih Piskin 1 , Hasan Akyildiz 2 1 , Tayfur Ozturk 1
1 Metallurgical and Materials Engineering, Middle East Technical University, Ankara Turkey, 2 Metallurgical and Materials Engineering, Selcuk University, Konya Turkey

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9:00 PM - UU5.2
Non-Destructive Characterization of Buried Interfaces in Semiconductor Devices.

Natsuki Tsuno 1 , Yusuke Ominami 2 , Hiroya Ohta 1 , Hiroyuki Shinada 1 , Hiroshi Makino 1 , Yoshinobu Kimura 1
1 Central Research Laboratory, Hitachi, Kokubunjishi, Tokyo, Japan, 2 Nanotechnology Products Business Group, itachi High-Technologies Corporation, Hitachinakashi, Ibaragi, Japan

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9:00 PM - UU5.3
Exploration of Candidate Cathode Materials for Lithium Ion Secondary Battery by Combinatorial and Conventional Electrostatic Spray Deposition Method.

Keita Ikezawa 1 , Shigeru Ito 1 , Kenjiro Fujimoto 1
1 , Tokyo University of Science, Noda Japan

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9:00 PM - UU5.4
Preparation of Pseudo-Ternary and -Quaternary Ca3Co4O9+δ-Type Compounds by Electrostatic Spray Deposition Method.

Haruka Sakurai 1 , Maiko Sakai 2 , Shigeru Ito 1 , Kenjiro Fujimoto 1
1 , Tokyo University of Science, Noda Japan, 2 Tsukuba Research Laboratory, Sumitomo Chemical Co., Ltd., Tsukuba Japan

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9:00 PM - UU5.5
High-Throughput Characterization of Time-Dependent Crystallization of Ni-Nb-Zr Thin Film Amorphous Alloys.

Yuko Aono 1 , Junpei Sakurai 1 , Akira Shimokohbe 1 , Seiichi Hata 1
1 , Tokyo Institute of Technology, Tokyo Japan

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9:00 PM - UU5.6
Ammonia Borane and Amidoboranes for Hydrogen-Storage Materials: A Dispersion Corrected Density-Functional Theory Approach.

Hongbin Huang 1 , Kunihiko Yamauchi 1 , Ikutaro Hamada 2 , Tamio Oguchi 1
1 , ISIR, Osaka University, Ibaraki Japan, 2 , WPI-AIMR, Tohoku University, Sendai Japan

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9:00 PM - UU5.7
Initiation of a Database of Functional Micro- and Nano-Structures.

Lin Jia 1 , Edwin Thomas 1
1 Materials Science and Engineering, MIT, Cambridge, Massachusetts, United States

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9:00 PM - UU5.8
Design of a High-Throughput 25-Well Parallel Electrolyzer for the Accelerated Discovery of CO2 Reduction Catalysts via a Combinatorial Approach.

Tram Dang 1
1 Materials Science and Engineering, University of California, San Diego, La Jolla, California, United States

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2011-11-30   Show All Abstracts

Symposium Organizers

Jan Genzer North Carolina State University
Yuji Matsumoto Tokyo Institute of Technology
James B. Miller Carnegie Mellon University
Radislav A. Potyrailo GE Global Research Center
UU6: Informatics and Analysis
Session Chairs
Wednesday AM, November 30, 2011
Hampton (Sheraton)

9:45 AM -
Remarks

10:00 AM - **UU6.1
Rapid Screening of Chemical Sensing Materials Using First Principle Molecular Modeling Approach.

Abhijit Shevade 1 , Margie Homer 1 , Hanying Zhou 1 , Liana Lara 1 , Adam Kisor 1 , Kenneth Manatt 1 , Shiao-Ping Yen 1 , William Goddard 2 , Mario Blanco 3 , April Jewell 4 , Amy Ryan 5
1 , Jet Propulsion Laboratory, Pasadena, California, United States, 2 Materials and Process Simulation Center, California Institute of Technology, Pasadena, California, United States, 3 , Liox Power Inc, Pasadena, California, United States, 4 , Tufts University, Medford, Massachusetts, United States, 5 , U.S. Department of Energy, Washington D.C., District of Columbia, United States

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10:30 AM - UU6.2
Experimental Strategy for High-Throughput Materials Research.

James Cawse 1
1 , Cawse and Effect LLC, Pittsfield, Massachusetts, United States

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10:45 AM - UU6.3
Relevance Vector Machine Regression Applied to Combinatorial Libraries.

Gilad Kusne 1 2 , Christian Long 1 , Xiang Li 2 , Vicky Karen 2 , Ichiro Takeuchi 1
1 Materials Science & Engineering, University of Maryland, College Park, Maryland, United States, 2 Ceramics Division, National Institute of Standards and Technology, Gaithersburg, Maryland, United States

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11:00 AM -
BREAK

11:30 AM - **UU6.4
Photovoltaics Informatics: Harnessing Energy Science via Data-Driven Approaches.

Changwon Suh 1 , Kristin Munch 1 , David Biagioni 2 , Stephen Glynn 1 , John Scharf 1 , Miguel Contreras 1 , John Perkins 1 , Brent Nelson 1 , Wesley Jones 1
1 , National Renewable Energy Laboratory, Golden, Colorado, United States, 2 Department of Applied Mathematics, University of Colorado, Boulder, Colorado, United States

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12:00 PM - UU6.5
Development of Materials Informatics Tools and Infrastructure to Enable High-Throughput Materials Design.

Michael Krein 1 , Bharath Natarajan 2 , Linda Schadler 2 , Cate Brinson 3 , Hua Deng 3 , Donghai Gai 3 , Yang Li 3 , Curt Breneman 1
1 Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, New York, United States, 2 Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York, United States, 3 Mechanical Engineering, Northwestern University, Evanston, Illinois, United States

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12:15 PM - UU6.6
Practical Software Tools for High-Throughput Analysis of Optical Spectra.

John Perkins 1 , Andriy Zakutayev 1 , Vincent Bollinger 1
1 , National Renewable Energy Laboratory, Golden, Colorado, United States

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UU7: General Topics
Session Chairs
Yuji Matsumoto
Wednesday PM, November 30, 2011
Hampton (Sheraton)

2:45 PM - **UU7.1
Advances in High-Throughput Screening of Gas Sensing Materials.

Ulrich Simon 1
1 , RWTH Aachen University, Aachen Germany

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3:15 PM - UU7.2
Controlled Preparation of Supported Nanoparticle Structure Gradients by Spinodal Dewetting of Thin Metal Films.

James Miller 1 2 , William Michalak 1 2 , Andrew Gellman 1 2
1 Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania, United States, 2 National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania, United States

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3:30 PM - UU7.3
High-Throughput Study of Au-Si-Cu Metallic Glass by Combinatorial NanoCalorimetry and Synchrotron X-Ray Diffraction.

Patrick McCluskey 1 , John Gregoire 1 , Darren Dale 2 , Shiyan Ding 3 , Jan Schroers 3 , Joost Vlassak 1
1 School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts, United States, 2 Cornell High Energy Synchrotron Source, Cornell University, Ithaca, New York, United States, 3 School of Engineering and Applied Science, Yale University, New Haven, Connecticut, United States

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3:45 PM -
BREAK

4:15 PM - **UU7.4
Systematic Mapping of Structural Boundaries: Combinatorial Search of Lead-Free Piezoelectrics and Rare-Earth-Free Magnetostrictive Materials.

Ichiro Takeuchi 1
1 Materials Science and Engineering, University of Maryland, College Park, Maryland, United States

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4:45 PM - UU7.5
Developing Bulk Metallic Glass Formers through a Combinatorial Approach.

Shiyan Ding 1 , John Gregoire 2 , Patrick McCluskey 2 , Joost Vlassak 2 , Carolin Hostert 3 , Jochen Schneider 3 , Jan Schroers 1
1 Mechanical Engineering and Materials Science, Yale University, New haven, Connecticut, United States, 2 School of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts, United States, 3 Materials Chemistry, RWTH Aachen University, Aachen Germany

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5:00 PM - UU7.6
Combinatorial Screening of Selected Dopants in In2O3 for Thermoelectric Applications.

Matin Amani 1 , Ian Tougas 1 , Otto Gregory 1
1 University of Rhode Island, Department of Chemical Engineering, Kingston, Rhode Island, United States

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5:15 PM - UU7.7
Design and Implementation of Complete Thermoelectric Properties Measurement System: Thermopower, Electrical Conductivity, Resistivity and Thermal Conductivity.

Murat Gunes 1 , Mehmet Parlak 3 , Ahmet Ozenbas 2 1
1 Micro and Nanotechnology Program, Middle East Technical University, Ankara Turkey, 3 Physics Department, Middle East Technical University, Ankara Turkey, 2 Metallurgical and Materials Engineering, Middle East Technical University, Ankara Turkey

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5:30 PM - UU7.8
Development of New Shape Memory Materials Using High-Throughput Experimentation.

Pio Buenconsejo 1 , Sven Hamann 1 , Dennis Konig 1 , Alan Savan 1 , Alfred Ludwig 1
1 Institute for Materials, Ruhr-University Bochum, Bochum Germany

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2011-12-01   Show All Abstracts

Symposium Organizers

Jan Genzer North Carolina State University
Yuji Matsumoto Tokyo Institute of Technology
James B. Miller Carnegie Mellon University
Radislav A. Potyrailo GE Global Research Center
UU8: High Throughput Computational Studies
Session Chairs
M. Finn
Thursday AM, December 01, 2011
Hampton (Sheraton)

9:30 AM -
Remarks

9:45 AM - UU8.1
Computational Design of Metallic Glass Alloys.

Logan Ward 1 , Katharine Flores 1 , Wolfgang Windl 1
1 , The Ohio State University, Columbus, Ohio, United States

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10:00 AM - UU8.2
Template-Assisted Molecular Dynamics Simulation Method to Study Metallic Liquid and Glass Structures.

Shaogang Hao 1 , Jianhua Zhang 1 , Cai-Zhuang Wang 1 , Kai-Ming Ho 1
1 , Ames Lab and Iowa State University, Ames, Iowa, United States

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10:15 AM - UU8.3
Strain Boost Molecular Dynamics Simulations of Metallic Glasses.

Yu Chieh Lo 1 2 , Erik Bitzek 3 , Shotaro Hara 4 , Ju Li 1 2
1 Department of Mechanical Engineering and Materials Science, University of Pennsylvania, Philadelphia, Pennsylvania, United States, 2 Department of Nuclear Science and Engineering and Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States, 3 Department of Materials Science and Engineering, Friedrich-Alexander-University Erlangen-Nuremberg, Martensstr, Erlangen, Germany, 4 Department of Mechanical Engineering, University of Tokyo, Tokyo, Tokyo, Japan

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10:30 AM -
BREAK

11:00 AM - **UU8.4
Distributed Synergies for Materials Development. The Aflowlib.org Consortium.

Stefano Curtarolo 1
1 Mech. Eng. Materials Science, Duke University, Durham, North Carolina, United States

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11:30 AM - UU8.5
Structural Trends from Simplified Models of the Electronic Structure.

Georg Madsen 1 , Eunan McEniry 1 , Nick Hatcher 1 , Ralf Drautz 1
1 , ICAMS, Ruhr Universität Bochum, Bochum Germany

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11:45 AM - UU8.6
Rational Design of High Energy Density Capacitor Dielectrics through Navigation of the Polymer Chemical Space.

Chenchen Wang 1 , Ghanshyam Pilania 1 , Chunsheng Liu 1 , Rampi Ramprasad 1
1 Chemical, Materials, and Biomolecular Engineering, University of Connecticut, Storrs, Connecticut, United States

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12:00 PM - UU8.7
The Harvard Clean Energy Project: High-Throughput Screening of Organic Photovoltaic Materials Using a Combinatorial Molecular Library.

Roberto Olivares-Amaya 1 , Johannes Hachmann 1 , Carlos Amador-Bedolla 2 1 , Aidan Daly 1 , Sule Atahan-Evrenk 1 , Alan Aspuru-Guzik 1
1 Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States, 2 Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Mexico, DF, Mexico

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12:15 PM - UU8.8
High-Throughput Quantum Monte Carlo.

Tim Mueller 1 , Lucas Wagner 1 , Jeffrey Grossman 1
1 Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States

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12:30 PM -
Closing Remarks