Thursday, March 9, 2023
11:30AM - 12:06PM
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T03.00001: Olexandr Isayev
Invited Speaker:
Olexandr Isayev
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Thursday, March 9, 2023
12:06PM - 12:18PM
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T03.00002: Linking Rheological Properties with Molecular-Scale Features via Molecular Dynamics Simulations and Machine Learning
Wenhui Li, JCS Kadupitiya, Vikram Jadhao
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Thursday, March 9, 2023
12:18PM - 12:30PM
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T03.00003: Active Learning Exploration of Thermally Conductive Strained Polymers
Renzheng Zhang, Jiaxin Xu, Hanfeng Zhang, Tengfei Luo
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Thursday, March 9, 2023
12:30PM - 12:42PM
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T03.00004: Connecting local structure and transport of small molecules through glassy polymers
Samuel J Layding, Robert A Riggleman
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Thursday, March 9, 2023
12:42PM - 12:54PM
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T03.00005: Deep Learning Approaches for Property Prediction and Inverse Design of Polymers
JIHUN AHN, Su-Mi Hur, Yeojin Choe, Gabriella Pasya Irianti
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Thursday, March 9, 2023
12:54PM - 1:06PM
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T03.00006: Developing Universal Machine Learning Model for Predicting Polymer Properties
Himanshu ., Tarak K Patra
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Thursday, March 9, 2023
1:06PM - 1:18PM
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T03.00007: Quantifying Pairwise Chemical Similarity of Polymers
Jiale Shi, Nathan J Rebello, Dylan Walsh, Weizhong Zou, Michael E Deagen, Debra J Audus, Bradley D Olsen
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Thursday, March 9, 2023
1:18PM - 1:30PM
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T03.00008: Canonicalizing BigSMILES for Polymer Informatics Using Chemical Intuition and State Machines
Nathan J Rebello, Tzyy-Shyang Lin, Guang-He Lee, Melody A Morris, Bradley D Olsen
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Thursday, March 9, 2023
1:30PM - 1:42PM
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T03.00009: CG-BigSMILES: a line notation for coarse-grained polymers
Bruno S Leao, Weizhong Zou, Bradley D Olsen
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Thursday, March 9, 2023
1:42PM - 1:54PM
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T03.00010: Machine learning of phase diagram based on GPR for the DPD simulation of drug delivery to endothelial cells
Saeed Akbari, Soumya Ray, Joao M Maia, Fei Zhou, Xiao Chen
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Thursday, March 9, 2023
1:54PM - 2:06PM
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T03.00011: Deep Learning Boosted Langevin Field-Theoretic Simulation of Polymers
Jaeup Kim, Daeseong Yong
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Thursday, March 9, 2023
2:06PM - 2:18PM
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T03.00012: Machine learning strategies for the structure-property relationship of copolymers
Ying Li, Lei Tao, Vikas Varshney, John Byrnes
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Thursday, March 9, 2023
2:18PM - 2:30PM
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T03.00013: Data-driven identification and analysis of the glass transition in polymer melts
Atreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer, Oleksandra Kukharenko
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