2020 Virtual AIChE Annual Meeting

Session: Data-Driven Design and Modeling of Biomaterials

Chair

Yi He, Zhejiang University (Yuquan Campus)

Co-Chair

Presentations

08:00 AM

(577a) Iterative Peptide Biomaterials Discovery with Maximum Entropy Methods and Deep Learning
Andrew White

08:15 AM

(577b) Discovering Molecules with Selective Membrane Partitioning Using Active Learning and Alchemical Transformation
Kirill Shmilovich, Andrew Ferguson, Tristan Bereau, Bernadette Mohr

08:30 AM

(577d) Integrating Coarse-Grained Modeling, Machine Learning, and Optimization for Biopolymer Design
Michael Webb

08:45 AM

(577e) Machine Learning for the Prediction of Glass Transition Temperature of Biodegradable Polymers
Timothy Brenza, Eswar ArunKumar Kalaga

09:00 AM

(577f) Integration of Metabolic Network and Data-Driven Modeling to Predict Context-dependent Microbial Interactions
Aimee K. Kessell, Hyun-Seob Song

09:15 AM

(577g) Molecular Design of Underwater Adhesives Using DOPA and Amyloid-Forming Peptide Conjugates
Amelia Chen, Qing Shao, Carol Hall

09:30 AM

(577h) Intelligent Design of Substituted Ferrite Materials for Magnetically Modulated Energy Delivery Applications: Density Functional Theory and Machine Learning Study
Paul Meza-Morales, Jiazhou Zhu, Anish Chaluvadi, Olin Mefford, Rachel B. Getman

09:45 AM

(577i) Computational Modeling of Therapeutic Glycoproteins
Roland Faller, Austen Bernardi, Karen A. McDonald, Somen Nandi, Yihan Huang, Yongao Xiong