Mathematics and the Materials Genome Initiative

September 12 - 15, 2012

Content

Overview

Advisory:

Note: the workshop will start in the evening of Wednesday, September 12 with a reception and is scheduled to conclude by 1:30pm on Saturday, September 15.

Organizers:

Carme Calderer	University of Minnesota, Twin Cities
Robert Lipton	Louisiana State University
Dionisios Margetis	University of Maryland
Felix Otto	Max-Planck-Institut für Mathematik in den Naturwissenschaften

The purpose of this workshop is to mobilize the mathematical sciences community to respond to the opportunities created under the Materials Genome Initiative (MGI). The planned workshop will gather researchers in mathematical sciences and those in materials sciences from academic institutions, industry and national laboratories, as well as representatives from US government agencies and professional societies. The goal is to foster the involvement of the community in the MGI. The desired outcome is interdisciplinary research activities that address the new upcoming challenges in materials research, and the development of new mathematical tools to meet these challenges. The workshop program, which includes scientific presentations, panel discussions, and informal discussions, has been designed to identify research opportunities and to provide networking opportunities for researchers. An educational component of the workshop will foster dialog and explore modes of collaboration with community colleges in developing curricula to prepare future workforce to meet the employment opportunities brought about by the MGI.

Scientific Advisory Committee

Kaushik Bhattacharya	Caltech
Richard James	University of Minnesota
Jorge Vinals	University of Minnesota

Schedule

Wednesday, September 12, 2012
			Video
6:30 pm - 8:00 pm	Reception

Thursday, September 13, 2012

8:30 am - 9:00 am	Registration and Coffee	Keller 3-176
9:00 am - 10:00 am	NSF presentation and discussion	Keller 3-180
10:00 am - 10:30 am	The Quest for Descriptors in Materials Development: A Rational Use of aflowlib.org through examples. Stefano Curtarolo (Duke University)	Keller 3-180
10:30 am - 10:45 am	Break	Keller 3-176
10:45 am - 11:15 am	Crystal Facets in Materials Surface Relaxation: A two-scale perspective Dionisios Margetis (University of Maryland)	Keller 3-180
11:15 am - 11:30 am	Break	Keller 3-176
11:30 am - 12:00 pm	Toward in-silico Design of Polycrystalline Materials Shlomo Ta'asan (Carnegie-Mellon University)	Keller 3-180
12:00 pm - 2:00 pm	Lunch
2:00 pm - 2:50 pm	Panel Discussion 1: Large Scale Modeling and Industrial Challenges Timothy Breitzman (US Air Force Research Laboratory), Timothy Burns (National Institute of Standards and Technology), Leslie Button (Corning Incorporated), Kochuparambil Vargheese (Corning Incorporated)	Keller 3-180
2:50 pm - 3:05 pm	Break	Keller 3-176
3:05 pm - 3:20 pm	New and Unique Materials from Dewetting of Pulsed-laser Melted, Multilayer Metallic Films at the Nanoscale: Experiments and Modeling Mikhail Khenner (Western Kentucky University)	Keller 3-180
3:25 pm - 3:55 pm	Space and Time Coarse-graining for Genomics-Based Materials Design and Manufacturing Mitchell Luskin (University of Minnesota, Twin Cities)	Keller 3-180
4:00 pm - 4:30 pm	Integrated Computational Materials Science and Engineering: An Air Force Approach Timothy Breitzman (US Air Force Research Laboratory)	Keller 3-180
4:30 pm - 5:45 pm	Reception and Poster Session	Lind 400

Friday, September 14, 2012

8:30 am - 9:00 am	Coffee	Keller 3-176
9:00 am - 9:30 am	Using Compressive Sensing to Uncover the Alloy Genome with High-Throughput Model Building Gus Hart (Brigham Young University)	Keller 3-180
9:30 am - 9:40 am	Break	Keller 3-176
9:40 am - 10:10 am	Network Formation and Ionic Conduction in Polymer Electrolyte Materials Keith Promislow (Michigan State University)	Keller 3-180
10:10 am - 10:30 am	Group photo/Break	Keller 3-176
10:30 am - 10:45 am	A Continuum Theory of Thermoelectric Bodies and Proposed Large-scale Application in Energy Conversion Liping Liu (Rutgers, The State University Of New Jersey )	Keller 3-180
10:50 am - 11:20 am	A Variational Perspective on Cloaking by Anomalous Localized Resonance Jianfeng Lu (Duke University)	Keller 3-180
11:20 am - 11:30 am	Break	Keller 3-176
11:30 am - 12:00 pm	Electrochemical Energy Storage Devices for Electrified Vehicles Rajeswari Chandrasekaran (Ford Motor Company)	Keller 3-180
12:00 pm	Lunch
2:00 pm - 2:15 pm	Multiscale Modeling of Defects in Ionic and Polarizable Solids Kaushik Dayal (Carnegie Mellon University)	Keller 3-180
2:20 pm - 2:35 pm	Micromechanics Based Second Gradient Continuum Mechanics Theory for Cohesive Granular Materials Anil Misra (University of Kansas)	Keller 3-180
2:40 pm - 3:30 pm	Panel Discussion 2: Analytic and Computational Challenges in Ab-initio Through Continuum Modeling: Quantum Mechanics and Computational Chemistry Da Gao (University of Minnesota, Twin Cities), Yousef Saad (University of Minnesota, Twin Cities), Peter Schultz (Sandia National Laboratories), Ellad Tadmor (University of Minnesota, Twin Cities), Adama Tandia (Corning Incorporated)	Keller 3-180
3:30 pm - 3:50 pm	Break	Keller 3-176
3:50 pm - 4:20 pm	Mesoscale Description of Defected Materials Jorge Viñals (University of Minnesota, Twin Cities)	Keller 3-180
4:20 pm - 4:30 pm	Break	Keller 3-180
4:30 pm - 5:00 pm	Algorithms for critical nucleation, microstructure evolution and materials design Qiang Du (The Pennsylvania State University)	Keller 3-180
5:00 pm - 5:50 pm	Panel Discussion 3: MGI and Education Timothy Burns (National Institute of Standards and Technology), Maria Emelianenko (George Mason University), Victor Padron (Normandale Community College), Adama Tandia (Corning Incorporated)	Keller 3-180
5:50 pm - 6:00 pm	Summary discussion	Keller 3-180
7:00 pm - 9:00 pm	Group Dinner at Tea House

Saturday, September 15, 2012

8:30 am - 9:00 am	Coffee	Keller 3-176
9:00 am - 9:30 am	Multiscale Computational Modeling of Complex Materials Systems Maria Emelianenko (George Mason University)	Keller 3-180
9:30 am - 9:40 am	Break	Keller 3-176
9:40 am - 9:55 am	Ginzburg-Landau-Type Model for Carbon Nanotubes Dmitry Golovaty (University of Akron)	Keller 3-180
9:55 am - 10:15 am	Break	Keller 3-176
10:15 am - 10:45 am	Charged Kinetic transport for full electronic bands: novel applications Irene Gamba (The University of Texas at Austin)	Keller 3-180
10:45 am - 11:00 am	Break	Keller 3-176
11:00 am - 11:40 am	Panel Discussion 4: Materials for Renewable Energy Rajeswari Chandrasekaran (Ford Motor Company), Irene Gamba (The University of Texas at Austin), Richard James (University of Minnesota, Twin Cities), Keith Promislow (Michigan State University)	Keller 3-180
11:40 am - 12:10 pm	Concluding Discussion	Keller 3-180

Participants

Name	Department	Affiliation
Dragos Anastasiu	Computer Science and Engineering	University of Minnesota, Twin Cities
David Aristoff	Department of Mathematics	University of Minnesota, Twin Cities
Amartya Banerjee	Department of Aerospace Engineering and Mechanics	University of Minnesota, Twin Cities
Peter Bates	Department of Mathematics	Michigan State University
Andrew Bernoff	Department of Mathematics	Harvey Mudd College
Hakima Bessaih	Department of Mathematics	University of Wyoming
Timothy Breitzman	Composites Branch	US Air Force Research Laboratory
Timothy Burns		National Institute of Standards and Technology
Leslie Button	Department of Modeling & Simulation	Corning Incorporated
Carme Calderer	School of Mathematics	University of Minnesota, Twin Cities
Renato Calleja	Institute for Mathematics and its Applications	University of Minnesota, Twin Cities
Rajeswari Chandrasekaran	Energy Storage, Materials & Strategy	Ford Motor Company
Haoran Chen	Department of Mathematics	University of Minnesota, Twin Cities
Stefano Curtarolo	Department of Mechanical Engineering and Materials Science and Department of Physics	Duke University
Kaushik Dayal	Civil and Environmental Engineering	Carnegie-Mellon University
Qiang Du	Department of Mathematics	The Pennsylvania State University
Maria Emelianenko	Department of Mathematical Sciences	George Mason University
Robert Foldes		University of Minnesota, Twin Cities
Mary Galvin-Donoghue	Division of Materials Research	National Science Foundation
Irene Gamba	Department of Mathematics	The University of Texas at Austin
Wei Gan		Medtronic
Da Gao		University of Minnesota, Twin Cities
Carlos Garavito-Garzon	School of Mathematics	University of Minnesota, Twin Cities
Guillermo Goldsztein	School of Mathematics	Georgia Institute of Technology
Dmitry Golovaty	Department of Theoretical and Applied Mathematics	University of Akron
Gus Hart	Department of Physics and Astronomy	Brigham Young University
Richard James	Department of Aerospace Engineering and Mechanics	University of Minnesota, Twin Cities
Yanfeng Jiang	Department of Electrical and Computer Engineering	University of Minnesota, Twin Cities
George Karypis	Department of Computer Science and Engineering	University of Minnesota, Twin Cities
Mikhail Khenner	Department of Mathematics	Western Kentucky University
Robert Lipton	Department of Mathematics	Louisiana State University
Liping Liu	Mathematics & Mechanical Aerospace Engineering	Rutgers, The State University Of New Jersey
Jianfeng Lu	Department of Mathematics	Duke University
Mitchell Luskin	School of Mathematics	University of Minnesota, Twin Cities
Dionisios Margetis	Department of Mathematics	University of Maryland
Anil Misra	Civil, Environmental and Architectural Engineering Department	University of Kansas
Mark Nathan		University of Minnesota, Twin Cities
Hans Othmer	Department of Mathematics	University of Minnesota, Twin Cities
Victor Padron	Department of Mathematics	Normandale Community College
Kellen Petersen	Department of Mathematics	New York University
Keith Promislow	Department of Mathematics	Michigan State University
Fernando Reitich	School of Mathematics	University of Minnesota, Twin Cities
Yousef Saad	Department of Computer Science	University of Minnesota, Twin Cities
Navid Sakhavand	Civil Engineering	Rice University
Katerine Saleme Ruiz	High Performance Computing Collaboratory	Mississippi State University
Peter Schultz	Advanced Device Technologies	Sandia National Laboratories
Michelle Schwalbe	Board on Mathematical Sciences and Their Applications	National Research Council
Michael Steuerwalt		National Science Foundation
Shlomo Ta'asan	Department of Mathematical Sciences	Carnegie-Mellon University
Ellad Tadmor	Department of Aerospace Engineering and Mechanics	University of Minnesota, Twin Cities
Adama Tandia	Department of Modeling and Simulation	Corning Incorporated
Ilya Timofeyev	Department of Mathematics	University of Houston
Kochuparambil Vargheese	Department of Modeling and Simulation	Corning Incorporated
Jorge Viñals	School of Physics and Astronomy	University of Minnesota, Twin Cities
Thomas Wanner	Department of Mathematical Sciences	George Mason University
Lingxing Yao	Department of Mathematics	University of Minnesota, Twin Cities
Longhua Zhao	Department of Mathematics	University of Minnesota, Twin Cities