{"668468":{"#nid":"668468","#data":{"type":"event","title":"PhD Defense by Rishi Gurnani","body":[{"value":"\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003ETHE SCHOOL OF MATERIALS SCIENCE AND ENGINEERING\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EGEORGIA INSTITUTE OF TECHNOLOGY\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EUnder the provisions of the regulations for the degree\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EDOCTOR OF PHILOSOPHY\u003Cbr \/\u003E\r\n\u003Cbr \/\u003E\r\non\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EThursday, August 3, 2023\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E3:00 PM\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ein person in MRDC 4211\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Eor via MS Teams\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Ca href=\u0022https:\/\/teams.microsoft.com\/l\/meetup-join\/19%3ameeting_ODJkNjAyMWItZjQ3MS00MzBhLWJlN2UtZTc0YzcxZGQzNThl%40thread.v2\/0?context=%7b%22Tid%22%3a%22482198bb-ae7b-4b25-8b7a-6d7f32faa083%22%2c%22Oid%22%3a%22c7dc7311-3066-4992-a20c-324c482494e1%22%7d\u0022 target=\u0022_blank\u0022\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003Ehttps:\/\/teams.microsoft.com\/l\/meetup-join\/19:meeting_OWUyNzAwMTAtYzc5ZC00NDhkLWI3OGMtNmJiNzQ5NzI0NDc0@thread.v2\/0?context=%7B%22Tid%22:%22482198bb-ae7b-4b25-8b7a-6d7f32faa083%22,%22Oid%22:%2209b20fc5-6235-4b06-8071-d8f6bee6b450%22%7D\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/a\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ewill be held the\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EDISSERTATION\u0026nbsp;DEFENSE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Efor\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003ERishi Gurnani\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u0022Advances in artificial intelligence for accelerated discovery of energy storage polymers\u0022\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003ECommittee Members:\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003Cstrong\u003E\u0026nbsp;\u0026nbsp;\u003C\/strong\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003Cstrong\u003E\u0026nbsp;\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EProf. Rampi Ramprasad, Advisor, MSE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EProf. Seung Soon Jang, Co-Advisor, MSE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EProf. Karl I. Jacob, MSE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EProf. Ryan P. Lively, ChBE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EProf. Chao Zhang, CSE\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u0026nbsp;\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EAbstract:\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EElectrostatic capacitors are critical energy storage components in advanced electrical systems in the defense, aerospace,\u003Cspan\u003E energy, \u003C\/span\u003Eand transportation sectors. Compared with other, more vigorously discussed, energy storage devices\u2014such as batteries, fuel cells and supercapacitors\u2014electrostatic capacitors offer unparalleled power density (107 W kg\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E\u2212\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E1\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E). This attribute renders electrostatic capacitors particularly advantageous for deployment in diverse fields, including wind pitch control (with maximum temperatures around 125 \u00b0C), hybrid, all-electric and rail vehicles (\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E\u223c\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E150 \u00b0C), pulsed power systems (\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E\u223c\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E180 \u00b0C), aircraft and aircraft launchers (\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E\u223c\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E300 \u00b0C), and space exploration (\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003E\u223c\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E480 \u00b0C). A persistent hurdle facing electrostatic capacitor technology involves improving their energy density \u003Cem\u003EUe\u003C\/em\u003E, especially at elevated temperatures. Overcoming this barrier would allow for considerable reductions in both mass and volume requirements. Exploring previously unknown polymers, and optimizing their chemical structure for use as a dielectric, is one route to the discovery of capacitors that address such inefficiencies.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EHowever, locating these polymers within the vast chemical expanse is akin to searching for a needle in a haystack. Artificial intelligence (AI) may be used to accelerate the process. To date, state-of-the-art AI algorithms have primarily been developed and optimized for game play, computer vision, natural language \u003Cspan\u003Eprocessing,\u003C\/span\u003E \u003Cspan\u003Eand\u003C\/span\u003E \u003Cspan\u003Esocial\u003C\/span\u003E \u003Cspan\u003Enetworking,\u003C\/span\u003E \u003Cspan\u003Erather\u003C\/span\u003E \u003Cspan\u003Ethan\u003C\/span\u003E \u003Cspan\u003Efor\u003C\/span\u003E \u003Cspan\u003Ephysics,\u003C\/span\u003E \u003Cspan\u003Echemistry,\u003C\/span\u003E \u003Cspan\u003Eand\u003C\/span\u003E \u003Cspan\u003Ematerials\u003C\/span\u003E \u003Cspan\u003Escience. \u003C\/span\u003EThe first part of my dissertation fills this gap by developing AI tools in two areas: chemical structure generation and structure-property modeling. These include rule-based systems based purely on known chemistry, as well as data-driven machine learning algorithms such as graph neural networks.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EThe\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Esecond\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Epart\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Eof\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ethe\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Edissertation\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Eaims\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ethe\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Edeveloped\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Etools\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Eat\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ethe\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Ediscovery\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Eof\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E \u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003Epolymer-based \u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003Cspan\u003E\u003Cspan\u003Ecapacitor dielectrics. Hundreds of thousands of previously unknown polymers were can\u003Cspan\u003Evassed.\u003C\/span\u003E \u003Cspan\u003EA\u003C\/span\u003E \u003Cspan\u003Ehandful\u2014belonging\u003C\/span\u003E \u003Cspan\u003Eto\u003C\/span\u003E \u003Cspan\u003Ethe\u003C\/span\u003E \u003Cspan\u003Epolynorbornene,\u003C\/span\u003E \u003Cspan\u003Epolyimide,\u003C\/span\u003E \u003Cspan\u003Eand\u003C\/span\u003E \u003Cspan\u003Eother\u003C\/span\u003E \u003Cspan\u003Efamilies\u2014\u003C\/span\u003E\u003Cspan\u003Ewere\u003C\/span\u003E explored via molecular modeling (MD, DFT), chemical synthesis, and physical characterization. Among these, one particular polymer named PONB-2Me5Cl displays remarkable \u003Cem\u003EUe\u003C\/em\u003E values at room temperature and above. At 200 \u00b0C, the polymer has an extraordinary \u003Cem\u003EUe\u003C\/em\u003E of 8.3 J\/cc\u2014over an order of magnitude higher than that of any commercial alternative. This discovery widens the scope of potential applications for electrostatic capacitors at high temperatures, such as wind pitch control, hybrid vehicles, and pulsed power systems and also reveals new structure-property relationships.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cspan\u003EDespite the emphasis on polymers for electrostatic energy storage, the AI tools developed in this dissertation generalize to a broad spectrum of materials discovery challenges. I have used the tools for the discovery of non-polymeric (MOFs) and polymeric materials for other applications as well (gas storage and separation). Overall, this research demonstrates the impact of AI on chemical structure generation and structure-property modeling, highlighting the potential for materials design advancement.\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n","summary":"","format":"limited_html"}],"field_subtitle":"","field_summary":[{"value":"\u003Cp\u003ESee Below\u003C\/p\u003E\r\n","format":"limited_html"}],"field_summary_sentence":[{"value":"Advances in artificial intelligence for accelerated discovery of energy storage polymers"}],"uid":"27707","created_gmt":"2023-07-13 16:00:06","changed_gmt":"2023-07-13 16:00:06","author":"Tatianna Richardson","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2023-08-03T15:00:00-04:00","event_time_end":"2023-08-03T17:00:00-04:00","event_time_end_last":"2023-08-03T17:00:00-04:00","gmt_time_start":"2023-08-03 19:00:00","gmt_time_end":"2023-08-03 21:00:00","gmt_time_end_last":"2023-08-03 21:00:00","rrule":null,"timezone":"America\/New_York"},"location":"MRDC 4211","extras":[],"groups":[{"id":"221981","name":"Graduate Studies"}],"categories":[],"keywords":[{"id":"100811","name":"Phd Defense"}],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1788","name":"Other\/Miscellaneous"}],"invited_audience":[{"id":"78771","name":"Public"}],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[],"email":[],"slides":[],"orientation":[],"userdata":""}}}