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Award Abstract # 2022040
NRT-HDR: Harnessing AI for Understanding & Designing Materials (aiM)

NSF Org: DGE
Division Of Graduate Education
Recipient: DUKE UNIVERSITY
Initial Amendment Date: July 24, 2020
Latest Amendment Date: July 30, 2022
Award Number: 2022040
Award Instrument: Standard Grant
Program Manager: Liz Webber
ewebber@nsf.gov
 (703)292-4316
DGE
 Division Of Graduate Education
EDU
 Directorate for STEM Education
Start Date: September 1, 2020
End Date: August 31, 2025 (Estimated)
Total Intended Award Amount: $2,999,525.00
Total Awarded Amount to Date: $3,016,203.00
Funds Obligated to Date: FY 2020 = $2,999,525.00
FY 2022 = $16,678.00
History of Investigator:
  • Lynda Brinson (Principal Investigator)
    cate.brinson@duke.edu
  • David Banks (Co-Principal Investigator)
  • Cynthia Rudin (Co-Principal Investigator)
  • Stefano Curtarolo (Co-Principal Investigator)
  • Johann Guilleminot (Co-Principal Investigator)
Recipient Sponsored Research Office: Duke University
2200 W MAIN ST
DURHAM
NC  US  27705-4640
(919)684-3030
Sponsor Congressional District: 04
Primary Place of Performance: Duke University
144 Hudson Hall Bldg.
Durham
NC  US  27708-0300
Primary Place of Performance
Congressional District:
04
Unique Entity Identifier (UEI): TP7EK8DZV6N5
Parent UEI:
NSF Program(s): NSF Research Traineeship (NRT)
Primary Program Source: 04002223DB NSF Education & Human Resource
04002021DB NSF Education & Human Resource
Program Reference Code(s): 9179, SMET
Program Element Code(s): 199700
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.076

ABSTRACT

Over the last decade, there has been a shift in materials science research from slow individual experiments and computation to the beginnings of accelerated data-driven artificial intelligence (AI) approaches. Yet to achieve the promise of rapid discovery, design, and application of new materials, the development of a new generation workforce trained at the nexus of AI and materials is essential. This National Science Foundation Research Traineeship awarded to Duke University, AI for understanding and designing Materials (aiM), will provide integrated training for both materials and computer scientists, to advance the research and training frontiers of this new convergent field. Students will develop expertise in AI and materials science through a new curriculum bridging disciplines, linked with convergent research, professional skills, and external internships. This NRT will fill a critical gap in the advanced manufacturing workforce, facilitating future on-demand materials development for vital societal applications in flexible electronics, biomedical implants, infrastructure development, and many other areas. A total of 50 PhD students will be trained in the aiM program, 25 of whom will be NRT funded, from degree programs in computer science, data science, statistical science, and all materials disciplines including materials science, physics, chemistry, and all engineering fields with the goal of broadening participation of women and underrepresented minorities by recruiting a diverse group of undergraduates and promoting retention through culturally aligned mentoring and an inclusive climate.

The aiM program will deliver core elements designed to equip trainees with competitive 21st century professional and technical workplace skills. These core elements include: (1) newly developed transdisciplinary courses fusing data and materials science with problem- and project-based learning; (2) experiential learning through real-world application in internships with national lab or industry partners; and (3) professional development through boot camps, workshops, mentoring, outreach opportunities, and industry networking events. Students from both materials and computer-science domains will gain critical in-depth cross-training that integrates knowledge and methods across disciplines and enables development of new frameworks for discovery and innovation. New research frontiers will incorporate computational methods for different material classes, growing materials data warehouses for simulated and experimental data, and development and improvement of AI methods for scientific discovery. This NRT will impact students far beyond Duke through development of parallel open online course modules based on the fundamentals and applications of ?AI for materials? coursework and an annual aiM Challenge in which teams across the world can compete on a common materials data problem.

The NSF Research Traineeship (NRT) Program is designed to encourage the development and implementation of bold, new potentially transformative models for STEM graduate education training. The program is dedicated to effective training of STEM graduate students in high priority interdisciplinary or convergent research areas through comprehensive traineeship models that are innovative, evidence-based, and aligned with changing workforce and research needs.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 23)
Brinson, L. Catherine and Deagen, Michael and Chen, Wei and McCusker, James and McGuinness, Deborah L. and Schadler, Linda S. and Palmeri, Marc and Ghumman, Umar and Lin, Anqi and Hu, Bingyin "Polymer Nanocomposite Data: Curation, Frameworks, Access, and Potential for Discovery and Design" ACS Macro Letters , v.9 , 2020 https://doi.org/10.1021/acsmacrolett.0c00264 Citation Details
Ritter, Virginia C. and McDonald, Samantha M. and Dobrynin, Andrey V. and Craig, Stephen L. and Becker, Matthew L. "Mechanochromism and Strain?Induced Crystallization in Thiol?yne?Derived Stereoelastomers" Advanced Materials , 2023 https://doi.org/10.1002/adma.202302163 Citation Details
Brinson, L. Catherine and Bartolo, Laura M. and Blaiszik, Ben and Elbert, David and Foster, Ian and Strachan, Alejandro and Voorhees, Peter W. "Community action on FAIR data will fuel a revolution in materials research" MRS Bulletin , v.49 , 2023 https://doi.org/10.1557/s43577-023-00498-4 Citation Details
Yang, Quansan and Hu, Ziying and Seo, Min-Ho and Xu, Yameng and Yan, Ying and Hsu, Yen-Hao and Berkovich, Jaime and Lee, Kwonjae and Liu, Tzu-Li and McDonald, Samantha and Nie, Haolin and Oh, Hannah and Wu, Mingzheng and Kim, Jin-Tae and Miller, Stephen A "High-speed, scanned laser structuring of multi-layered eco/bioresorbable materials for advanced electronic systems" Nature Communications , v.13 , 2022 https://doi.org/10.1038/s41467-022-34173-0 Citation Details
DeLuca, M. and Sensale, S. and Lin, P. A. and & Arya, G. "Prediction and Control in DNA Nanotechnology" ACS applied bio materials , 2023 Citation Details
Nikam, Shantanu P. and Hsu, Yen-Hao and Marks, Jessica R. and Mateas, Catalin and Brigham, Natasha C. and McDonald, Samantha M. and Guggenheim, Dana S. and Ruppert, David and Everitt, Jeffrey I. and Levinson, Howard and Becker, Matthew L. "Anti-adhesive bioresorbable elastomer-coated composite hernia mesh that reduce intraperitoneal adhesions" Biomaterials , v.292 , 2023 https://doi.org/10.1016/j.biomaterials.2022.121940 Citation Details
Barcus, Kyle and Lin, Po-An and Zhou, Yilong and Arya, Gaurav and Cohen, Seth M. "Influence of Polymer Characteristics on the Self-Assembly of Polymer-Grafted Metal?Organic Framework Particles" ACS Nano , v.16 , 2022 https://doi.org/10.1021/acsnano.2c05175 Citation Details
Andersen, Casper W. and Armiento, Rickard and Blokhin, Evgeny and Conduit, Gareth J. and Dwaraknath, Shyam and Evans, Matthew L. and Fekete, Ádám and Gopakumar, Abhijith and Gra?ulis, Saulius and Merkys, Andrius and Mohamed, Fawzi and Oses, Corey and Pizz "OPTIMADE, an API for exchanging materials data" Scientific Data , v.8 , 2021 https://doi.org/10.1038/s41597-021-00974-z Citation Details
Thornton, Luka Lila and Carlson, David E. and Wiesner, Mark R. "Predicting emerging chemical content in consumer products using machine learning" Science of The Total Environment , v.834 , 2022 https://doi.org/10.1016/j.scitotenv.2022.154849 Citation Details
Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano "aflow.org: A web ecosystem of databases, software and tools" Computational Materials Science , v.216 , 2023 https://doi.org/10.1016/j.commatsci.2022.111808 Citation Details
Chen, Peiyi and Guilleminot, Johann "Spatially-dependent material uncertainties in anisotropic nonlinear elasticity: Stochastic modeling, identification, and propagation" Computer Methods in Applied Mechanics and Engineering , v.394 , 2022 https://doi.org/10.1016/j.cma.2022.114897 Citation Details
(Showing: 1 - 10 of 23)

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