Abstract:
Artificial intelligence (AI)-based methods and computational materials science continue to make inroads into accelerated materials design and development. I will review Al-enabled advances made in the subfield of polymer informatics, with a particular focus on the design of application-specific practical polymeric materials. I will describe exemplar design attempts within a few critical and emerging application spaces, including materials designs for storing, producing, and conserving energy, and those that can prepare us for a sustainable economy powered by recyclable and/or biodegradable polymers. Al- powered workflows help efficiently search the staggeringly large chemical and configurational space of materials, using modern machine-learning (ML) algorithms to solve forward and inverse materials design problems. A practical informatics-based design protocol involves creating a set of application-specific target property criteria, building ML model predictors for those relevant target properties, enumerating or generating a tangible population of viable polymers, and selecting candidates that meet design recommendations. The protocol will be demonstrated for several energy and sustainability-related applications. Finally, I will offer an outlook on the lingering obstacles that must be overcome to achieve widespread adoption of informatics-driven protocols in industrial-scale materials development.
Speaker Bio:
Prof. Ramprasad is the Regents' Entrepreneur, Michael E. Tennenbaum Family Chair and Georgia Research Alliance Eminent Scholar in the School of Materials Science & Engineering at the Georgia Institute of Technology. He is also the CEO and co-founder of Matmerize, Inc. His area of expertise is the development and application of computational and machine learning tools to accelerate sustainable materials development aimed at energy production, storage and utilization. Prof. Ramprasad received his B. Tech. in Metallurgical Engineering at the Indian Institute of Technology, Madras, India, an M.S. degree in Materials Science & Engineering at the Washington State University, and a Ph.D. degree also in Materials Science & Engineering at the University of Illinois, Urbana-Champaign.
Prof. Ramprasad is a Fellow of the Materials Research Society, a Fellow of the American Physical Society, an elected member of the Connecticut Academy of Science and Engineering, and the recipient of the Alexander von Humboldt Fellowship and the Max Planck Society Fellowship for Distinguished Scientists. He has authored or co-authored over 300 peer-reviewed journal articles, 8 book chapters and 8 patents, and has delivered over 300 invited talks at Universities and Conferences worldwide. He is a member of the Editorial Advisory Boards of npj Computational Materials, ACS Materials Letters and Journal of Physical Chemistry A/B/C. He created and chaired the inaugural 2022 Gordon Research Conference on Computational Materials Science and Engineering.
Location: Room 301, Engineering Building
Artificial intelligence (AI)-based methods and computational materials science continue to make inroads into accelerated materials design and development. I will review Al-enabled advances made in the subfield of polymer informatics, with a particular focus on the design of application-specific practical polymeric materials. I will describe exemplar design attempts within a few critical and emerging application spaces, including materials designs for storing, producing, and conserving energy, and those that can prepare us for a sustainable economy powered by recyclable and/or biodegradable polymers. Al- powered workflows help efficiently search the staggeringly large chemical and configurational space of materials, using modern machine-learning (ML) algorithms to solve forward and inverse materials design problems. A practical informatics-based design protocol involves creating a set of application-specific target property criteria, building ML model predictors for those relevant target properties, enumerating or generating a tangible population of viable polymers, and selecting candidates that meet design recommendations. The protocol will be demonstrated for several energy and sustainability-related applications. Finally, I will offer an outlook on the lingering obstacles that must be overcome to achieve widespread adoption of informatics-driven protocols in industrial-scale materials development.
Speaker Bio:
Prof. Ramprasad is the Regents' Entrepreneur, Michael E. Tennenbaum Family Chair and Georgia Research Alliance Eminent Scholar in the School of Materials Science & Engineering at the Georgia Institute of Technology. He is also the CEO and co-founder of Matmerize, Inc. His area of expertise is the development and application of computational and machine learning tools to accelerate sustainable materials development aimed at energy production, storage and utilization. Prof. Ramprasad received his B. Tech. in Metallurgical Engineering at the Indian Institute of Technology, Madras, India, an M.S. degree in Materials Science & Engineering at the Washington State University, and a Ph.D. degree also in Materials Science & Engineering at the University of Illinois, Urbana-Champaign.
Prof. Ramprasad is a Fellow of the Materials Research Society, a Fellow of the American Physical Society, an elected member of the Connecticut Academy of Science and Engineering, and the recipient of the Alexander von Humboldt Fellowship and the Max Planck Society Fellowship for Distinguished Scientists. He has authored or co-authored over 300 peer-reviewed journal articles, 8 book chapters and 8 patents, and has delivered over 300 invited talks at Universities and Conferences worldwide. He is a member of the Editorial Advisory Boards of npj Computational Materials, ACS Materials Letters and Journal of Physical Chemistry A/B/C. He created and chaired the inaugural 2022 Gordon Research Conference on Computational Materials Science and Engineering.
Location: Room 301, Engineering Building