"Polymer Genome: An Informatics Platform for Rational Polymer Dielectrics Design and Beyond"


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Monday, October 22, 2018 -
11:00am to 12:00pm
Brauer Hall, Room 12
Prof. Rampi Ramprasad, Materials Science and Engineering, Georgia Institute of Technology

The Materials Genome Initiative (MGI) has heralded a sea change in the philosophy of materials design. In an increasing number of applications, the successful deployment of novel materials has benefited from the use of computational, experimental and informatics methodologies. Here, we describe our recent polymer discovery efforts [1], highlighting the role played by computational data generation and screening, targeted synthesis and characterization, polymer fingerprinting and machine-learning prediction models. These efforts have culminated in the creation of an online Polymer Informatics platform (https://www.polymergenome.org) to guide ongoing and future polymer discovery and design [2, 3]. Challenges that remain are examined, and systematic steps that may be taken to extend the applicability of such informatics efforts to a wide range of technological domains are discussed.

[1] A. Mannodi-Kanakkithodi, A. Chandrasekaran, C. Kim, T. D. Huan, G. Pilania, V. Botu, R. Ramprasad, “Scoping the Polymer Genome: A Roadmap for Rational Polymer Dielectrics Design and Beyond”, Materials Today, in press (2017).

[2] C. Kim, A. Chandrasekaran, T. D. Huan, D. Das, R. Ramprasad, “Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions,” Journal of Physical Chemistry C, J. 122, 31, 17575-17585 (2018).

[3] R. Ramprasad, R. Batra, G. Pilania, A. Mannodi-Kanakkithodi, C. Kim, “Machine Learning and Materials Informatics: Recent Applications and Prospects”, npj Computational Materials 3, 54 (2017).

Prof. Ramprasad is presently the Michael E. Tennenbaum Family Chair and Georgia Research Alliance Eminent Scholar in the School of Materials Science & Engineering at the Georgia Institute of Technology. His expertise is in the virtual design and discovery of application-specific materials using computational and data-driven methods. Among his notable projects are a ONR-sponsored Multi-disciplinary University Research Initiative (MURI) in the past to accelerate the discovery of polymeric capacitor dielectrics for energy storage. He is presently leading another MURI aimed at the understanding and design of dielectrics tolerant to enormous electric fields. Prof. Ramprasad is 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 180 peer-reviewed journal articles, 6 book chapters and 4 patents. He has delivered over 150 invited talks at Universities and Conferences worldwide, and has organized several international symposia. 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




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