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THE SCHOOL OF MATERIALS SCIENCE AND ENGINEERING
GEORGIA INSTITUTE OF TECHNOLOGY
Under the provisions of the regulations for the degree
DOCTOR OF PHILOSOPHY
on Friday, December 3, 2021
10:00 AM
via
BlueJeans Video Conferencing
https://bluejeans.com/770528747/5424
will be held the
DISSERTATION PROPOSAL DEFENSE
for
Rishi Gurnani
“Methodological Developments for Polymer Informatics”
Committee Members:
Prof. Rampi Ramprasad, Advisor, MSE
Prof. Seung Soon Jang, Co-Advisor, MSE
Prof. Karl I. Jacob, MSE
Prof. Ryan P. Lively, ChBE
Prof. Chao Zhang, CSE
Abstract:
Finding a polymeric material tailored to a specific application constitutes a daunting search problem, given the staggeringly large polymer chemical space. In these scenarios, the use of machine learning (ML) models to rapidly screen polymers and design for desired performances has become a powerful approach.
In this work, we use ML to study and design polymers for gas separation membranes and for dielectrics. Good ML models require sufficient data to train. As such, one aspect of this work is data collection. Another aspect is the development of new methods that advance the speed and accuracy of polymer informatics. These developments will touch on the numerical representation of polymers, digital synthesis planning of polymers, and property prediction. Further, we will develop ML methods that go beyond property prediction of polymers and, instead, predict polymers directly from user-desired target criteria. In other words, these methods will solve the inverse problem.
