“Collaborative Networks”and the MGI
Dane MorganUniversity of Wisconsin, MadisonDepartment of Materials Science
608-265-5879
DOE/NSF Materials Genome Initiative (MGI) Principal
Investigators' MeetingMarriott Hotel & Conference Center, North Bethesda, MD
January 12, 20151
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
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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Materials Accelerator Network
Wisconsin Materials Institute /
Regional Materials and Manufacturing Network
MAterials Simulation Toolkit (MAST)
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The Wisconsin Materials Institute (WMI)• Established June 2013 with
$5m support from UW CoE
• Co-directors – Tom Kuech
– 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
Materials Accelerator Network
Wisconsin Materials Institute /
Regional Materials and Manufacturing Network
MAterials Simulation Toolkit (MAST)
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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