Morgan mgi meeting 2015 01-11 v2.0 distribution

“Collaborative Networks”and the MGI

Dane MorganUniversity of Wisconsin, MadisonDepartment of Materials Science

and [email protected]

608-265-5879

DOE/NSF Materials Genome Initiative (MGI) Principal

Investigators' MeetingMarriott Hotel & Conference Center, North Bethesda, MD

January 12, 20151

mailto:[email protected]


Collaborative Networks

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What are Collaborative Networks?

“Collaborative networks” are groups that strengthen integration of• Theory, computational modeling, characterization, synthesis, and processing

(particularly theory and experiment)• Academia and industry• Workflow in materials development• The community to solve problems

3• Materials Genome Whitepaper, Materials Genome Initiative for Global Competitiveness, June 2011• National Science and Technology Council Committee on Technology - Subcommittee on the Materials Genome Initiative,

Materials Genome Initiate Strategic Plan, 2014

“One of the largest challenges will be encouraging scientists to think of themselves not as individual researchers but as part of a powerful network collectively analyzing and using data generated by the larger community.”

Materials Genome Whitepaper, Materials Genome Initiative for Global Competitiveness, June 2011

Collaborative networks are a key part of reaching MGI goals(“twice as fast at half the cost”)

Materials Accelerator Network

Wisconsin Materials Institute /

Regional Materials and Manufacturing Network

MAterials Simulation Toolkit (MAST)

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Materials Accelerator Network – Introduction

• Original idea from Cyrus Wadia for an integrating network to drive MGI activities across the country

• Announced by the White House Office of Science and Technology Policy announced in June 24, 2013

• An initiative organized jointly by Georgia Tech, the University of Wisconsin-Madison, and the University of Michigan to begin a national dialogue regarding prospects for establishing a national scale “Accelerator Network” for materials discovery, development and deployment.

6http://acceleratornetwork.org/

Connect academia, industry and government stakeholders to fulfill the goals of the Materials Genome and Manufacturing Initiatives

Materials Accelerator Network – Members

Dane Morgan (UW)

Tom Kuech (UW)

Katusyo Thornton (UM)

John Allison (UM)

Jud Ready (GT)

David McDowell (GT)

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Kickoff Workshop: Building an Integrated MGI Accelerator Network

~150 participants, June 5-6, 2014 at Georgia Tech, GA

Sponsors

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Building an Integrated MGI Accelerator Network - Outcomes

• A full report of the workshop

• Slide decks of all the presentations

acceleratornetwork.org/events/past-events/building-an-integrated-mgi-accelerator-network/

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Building an Integrated MGI Accelerator Network - Outcomes

• Materials domain specific recommendations from each break out session.

• Cross-cutting recommendations from the break-out sessions.

• Path forward recommendations for the materials accelerator network.

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Recommended Path Forward for the Accelerator Network

1. Information portal linking MGI efforts, including capabilities for self-identification of MGI activities.

2. Foster development of a world class current and future MGI workforce.– Create/promote MGI-relevant curricula, focus articles

3. Assist in framing Foundational Engineering Problems (FEPs)– Requirements/specifications-driven materials development that connects to

industry needs and the materials supply chain to achieve MGI oriented culture shift in materials research and development.

– Workshops and working groups in specific materials classes– Collect information from community to establish case studies, stakeholder

networks, teams for group proposals.

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Recommended Path Forward for the Accelerator Network

4. Promote MGI “materials innovation infrastructure”– High-throughput synthesis, processing, characterization, property measurement

and computational screening. – Shared resources for three-dimensional, in-situ and time resolved experimental

methods.– Cyberinfrastructure (information infrastructure, integrated distributed modeling

and simulation tools/data analytics/data generating and archiving, scientific workflows, web-enabled collaborative platforms)

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Accelerator Network Next StepsA Call For Participation!

• Help us build a network to achieve these goals• We are looking for collaborators in these activities

and to make connections with related efforts• Contact us if you might have interest …

- Tom Kuech (University of Wisconsin, [email protected]) - Dane Morgan (University of Wisconsin, [email protected]) - David McDowell (Georgia Institute of Technology, [email protected])- Jud Ready (Georgia Institute of Technology, [email protected])- John Allison (University of Michigan, [email protected])- Katsuyo Thornton (University of Michigan, [email protected])

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February 9-10, 2015 University of Wisconsin, Madison• Highlight exciting applications of

informatics in materials science– Data

management/Cyberinfrastructure/Mining and Discovery

– Industry/Academia– Experiment/Simulation

• Engage materials and data scientists in a more integrated community

• Brainstorming oriented event we expect to yield both novel ideas and cross-disciplinary collaborations

matinformatics.engr.wisc.edu

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The Wisconsin Materials Institute (WMI)• Established June 2013 with

$5m support from UW CoE

• Co-directors – Tom Kuech

([email protected])

– Dane Morgan ([email protected])

• UW materials umbrella, response to the Manufacturing and Materials Genome Initiatives

WMI enables collaborative, high-impact materials science and development at University of Wisconsin-Madison and beyond

materials.wisc.edu

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• UW system 13 four-year, 13 two-year,and UW-extension180k students$6b budget, with extensive materials centered programs and research

• IndustryDozens of innovative companies developing next-generation materials technologies

• Materials InfrastructureHundreds of millions of dollars of materials infrastructure in academia and industry

A RMMN can help us fully realize the potential of these resources

Why Have A Regional Materials and Manufacturing (RMMN) Network?

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UW-Madison, December 9th, 2013.

• GoalHelp participants learn abouteach other’s resources and needs.

Formulate a roadmap for establishingthe Regional Materials Network.

• Attendees57 registered attendees from a range of UW system schools(e.g., UW-Madison, UW-Stout, UW-Platteville, UW-Milwaukee)companies and institutions (e.g., the USDA Forest Products Laboratory).

• RecommendationsPortal to available resourcesPractical mechanism for sharing equipment resources using remote access

RMMN Kick-off Meeting

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RMMN ActivitiesWeb PortalUser-friendly, easy-to-navigate web portal for sharing tools,data and ideas among materials researchersand industry.

wiscmat.org19

Remote Access and Networked Data

Cloud based delivery of data and data analysis software

Lead: Paul Voyles ([email protected])

RMMN Activities

First data sets and analysis tools online January 2015

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Regional Industrial Network (RIN)Connecting academia, business, and government in order to:• Create a network of Industrial

Outreach organizations/local consortia at Wisconsin-based System Universities, Colleges and Technical Colleges

• Drive academic-industry interactions, e.g., internships, research support, and technology transfer

• Provide workforce for local industry, job opportunities for students

University of Wisconsin–MadisonAdvanced Materials Industrial Consortium (AMIC)

RMMN Activities

uwamic.wisc.edu 21





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MGI and Collaborative Networks Impact on My Research Group

Contribute to MGI CommunityBorrow from MGI Community• Pymatgen1

• Atomic Simulation Environment (ASE)2

• Materials project databases and team3

Research Group• Focus on High-Throughput Atomistic Simulation• Group cultural change to using and contributing to

network of infrastructure• Massively accelerate understanding and discovery

Materials Simulation Toolkit (MAST)

AtomTouch

Wu, Morgan, et al., In prep ‘15

1. Ong, et al., Comp Mat Sci ’132. Bahn and Jacobson, Comput. Sci. Eng. ‚023. materialsproject.org

Software Infrastructure for Sustained Innovation (SI2) award No. 1148011

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Pt

pypi.python.org/pypi/MAST

materialshub.org/

https://mobile.wisc.edu/mli-projects/project-atomtouch/

Interacting with the Worlds Universal Building Blocks

High-Temperature Solid Oxide Fuel Cell Catalyst Design

• Solid Oxide Fuel Cells (SOFCs) are a promising technology for centralized, distributed, and portable power

• Critical cost/durability improvements can be enabled by lower temperature, which requires more active cathode catalysts.

• Most difficult property to improve is surface exchange coefficient, K*

M. Mogensen and P. V. Hendriksen, in High-Temperature Solid Oxide Fuel Cells: Fundamentals, Design and Applications, edited by S. C. Singhal and K. Kendall (Elsevier Science Ltd, New York, 2003); S.B. Adler, et al., JES, ‘96

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Solid Oxide Fuel Cell cathode catalyst design

Descriptor discovered in 2011, but could not easily search large space and screen for stability and activity.

Lee, Morgan, et al. EES ‘11

Automated search of ~1200 perovskite compounds

Predicton of stability vs. other oxides

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Estimated

Removed unpublished data

from this area

Conclusions

“Collaborative networks” at all levels are a critical part of achieving MGI goals (twice as fast for half the cost).

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Please engage in supporting these networks and the associated cultural changes.

Thank You for Your Attention

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Questions? Please contact me at [email protected]

W: 608-265-5879C: 608-234-2906


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