CNR ICMATE, Padova - Italy. ENEA, Roma - Italy. Monica Fabrizio 1, Amelia Montone 2, Federico Cernuschi 3 1

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1 Mission Innovation. Clean Energy Materials Innovation Challenge 6: to accelerate the exploration, discovery and use of new high performance, low-cost clean energy materials Monica Fabrizio 1, Amelia Montone 2, Federico Cernuschi 3 1 CNR ICMATE, Padova - Italy 2 ENEA, Roma - Italy Monica Fabrizio 1, Amelia Montone 2, Federico Cernuschi RSE S.p.A., Milano - Italy CNR ICMATE, monica.fabrizio@cnr.it 2 ENEA 3 RSE S.p.A. 0

2 Mission Innovation: Brief History Global initiative of 22 countries + EU to accelerate global clean energy innovation launched in Paris 2015 at COP21. Australia, Brazil, Canada, Chile, China, Denmark, European Union, Finland, France, Germany, India, Indonesia, Italy, Japan, Mexico, Netherlands, Norway, Republic of Korea, Saudi Arabia, Sweden, United Arab Emirates, United Kingdom, United States. Pledged to double governments clean energy R&D investments by 2021, $15bn to $30bn/yr. Steering Committee: meets once per month complemented by private sector-led investments - Breakthrough Energy Coalition (BEC)-Bill Gates 1

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4 Launched at COP 21 in 2015, the Breakthrough Energy Coalition (BEC) is an influential group of investors and institutions committed to developing reliable and affordable energy technologies that can help solve climate change.

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6 Global initiative. Opportunity to accelerate the urgent transition to a low-carbon economy. Opportunity for North America to join forces in energy innovation. Opportunity to accelerate economic growth, wealth creation, and to improve quality of life on Earth for all. 5

7 Seven (Eight) Innovation Challenges 1. Smart Grids Innovation Challenge 2. Off-Grid Access to Electricity Innovation Challenge 3. Carbon Capture Innovation Challenge 4. Sustainable Biofuels Innovation Challenge 5. Converting Sunlight Innovation Challenge 6. Clean Energy Materials Innovation Challenge 7. Affordable Heating and Cooling of Buildings Innovation Challenge 8. Proposal for new challenge: Hydrogen from Australia Discussion during Mission Innovation Ministerial meeting-mi- 3, May 2018-Malmo 6

8 Clean Energy Materials Innovation Challenge -1 1 Selected in London in September 16 members joined: Australia, Canada, Denmark, EU, France, Germany, India, UAE, Finland, Italy, Mexico, Norway, Korea, Saudi Arabia, Sweden, Netherlands, UK, US Co-leads: Canada, Mexico, US 7

9 Steps September 2017 Workshop in Mexico City on Nanomaterials and composites, Inorganic functional materials, Organic functional materials March 2018 Workshop in Hamilton, Canada Structural Materials and 3d Printing May 2018 Workshop in Toronto, Canada Industry meeting - Self-Driving Materials Laboratories: The Next Paradigm for Accelerated Discovery to explore opportunities for private sector companies to collaborate in this initiative 8

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13 Local initiatives April 2018 Meeting and round table with Italian industry on MI Challenge 6 topic: Clean Energy Materials October 2018 Challenge 6 meeting in Rome (ENEA): an European vision 12

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17 Strategic significance of materials The Materials Project ( a core program of the Materials Genome Initiative, used high-throughput computing to discover the properties of known inorganic materials. From: Anubhav Jain,, Shyue Ping Ong,, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, and Kristin A. Persson Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1, (2013); doi: /

18 Strategic significance of materials Annual trend in the Cost per genome determined by the US National Human Genome Research Institute (NHGRI). Data for cost estimates are presented alongside those predicted by Moore s Law, which benchmarks performance based on a yearly doubling of computational power. Technology improvements that 'keep up' with Moore's Law are widely regarded to be doing exceedingly well, making it useful for comparison. 17

19 Clean Energy Materials Innovation Challenge -2 Goal? Accelerate discovery of high-performance, low-cost, & clean energy materials by 10x How? Develop an integrated, end-to-end materials innovation platform. How exactly? Combine materials sciences with o Advanced computing o AI/Machine learning o Robotics 18

20 From an uncoupled high-throughput approach... To a fully integrated approach... 19

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22 Discovery acceleration: GOALS Goal #1: Closing the Loop in Autonomous Discovery and Development Goal #2: Artificial Intelligence for Materials. Goal #3: Modular Materials Robotics. Goal #4: Inverse Design. Goal #5: Bridging Length and Time Scales 21

23 Discovery acceleration: GOALS Goal #1: Closing the Loop in Autonomous Discovery and Development An autonomous platform for materials discovery would exploit the feedback from measurements and guide new synthesis and characterization experiments or simulations, i.e., enable closedloop research or a self-driven laboratory. 22

24 Discovery acceleration: GOALS Goal #2: Artificial Intelligence for Materials. Emulation of human scientific intuition, reasoning, and decision making. (i) elevating machine learning from generating data models to generating human-understandable explanations, inferences, and conclusions; (ii) enabling autonomous reasoning about these outcomes and prior data to generate an actionable research plan. 23

25 Discovery acceleration: GOALS Goal #4: Inverse Design Inverse design inverts the paradigm by starting with the final goal and searches for an ideal materials solution to a particular clean energy challenge. i. to connects the desired properties to specific compositions, structures, and materials as targets to synthesize, characterize, and test; ii. the design process incorporates the necessary physics that describes the desired 24 functionality.

26 Discovery acceleration: GOALS Goal #5: Bridging Length and Time Scales Range of length scales that must be considered to understand the performance characteristics of a device (left), down to its material components (right) 25

27 Clean Energy Materials Innovation Challenge Experts Workshop, held on September 2017 in Mexico City Three panels: Nanomaterials and Composites Inorganic Functional Materials Organic Functional Materials Figure 2. Workshop participants and observers - Identify critical R&D priorities and gaps in each part of the energy materials innovation chain - Explore opportunities for combining individual research pathways, high-throughput synthesis, high-throughput calculation, and high-throughput characterization into an integrated materials innovation approach, or platform 26 Figure 4. Through interactive workshop sessions, participants identify

28 IC6 Expert Workshop Report Basic Research Need methodology Recommendation: develop Materials Acceleration Platform Automated & autonomous (smart & super fast) materials factories International collaborations of scientists and engineers + goverments + industry + society. Acceleration-Platform-Jan-2018.pdf 27

29 Some final comments for discussion The bottleneck from research to technology is at TRL 4 and if we cannot obtain something to link TRL 4 to TRL 6, we risk having a good exercise but no real advance towards innovation maybe we need to involve experts in the field of processing and manufacturing It is necessary to enable new knowledge come back to the scientific community and stakeholders (industry) by reporting problems, coding new types of analyses and apps, and proposing new but really reliable materials for computation. This involves an evolution of the organizational and funding mechanisms of stakeholders and research institutions. 28