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Publications
Proceedings
2022 Annual Meeting
Computational Molecular Science and Engineering Forum
Machine Learning for Soft Materials II
2022 Annual Meeting
Session: Machine Learning for Soft Materials II
Chair
Nicholas Jackson
, UIUC
Co-Chairs
Michael Webb
Pin-Kuang Lai
, Stevens Institute of Technology
Presentations
03:35 PM
(656a) A New Computational-Experimental Screening Methodology Identifies More Effective Solvents for CO2 Capture
Frederick de Meyer, Alexey Orlov, Christophe Coquelet, Xavier Rozanska
03:50 PM
(656b) Characterization of Chemoresponsive Liquid Crystals Using Topological Descriptors and Machine Learning
Shengli Jiang, Victor Zavala, Nicholas L. Abbott, Nanqi Bao, Alexander Smith
04:05 PM
(656c) Physics-Informed Deep Neural Networks for Predicting Fluid Flow in Complex Porous Materials
Serveh Kamrava, Muhammad Sahimi
04:30 PM
(656d) Simulation of Neutron Dark Field Interferometry Data in Hierarchical Materials Using Small Angle Scattering Models
Katie Weigandt, Caitlyn Wolf, Ryan P. Murphy, Youngju Kim, Anis Ben Said, Sarah Robinson, M. Cyrus Daugherty, Michael Huber, David L. Jacobson, Jacob LaManna, Nikolai Klimov, Paul Kienzle, Peter Bajcsy, Daniel S. Hussey
04:45 PM
(656e) Developing an ML Algorithm to Predict the Aqueous Solubility of Polymers and Organic Compounds
Arash Tayyebi, Ali Alshami
05:25 PM
(656g) Machine Learning for the Discovery of Molecular Recognition Based on Single-Walled Carbon Nanotube Corona-Phases
Xun Gong, Nicholas J Renegar, Retsef Levi, Michael Strano
05:40 PM
(656h) Accelerated Discovery of Novel Ionic Liquid Cations Using a Continuous Latent Space Representation of Chemical Space
Jindal Shah, Pratik Dhakal
05:55 PM
(656i) Context-Aware Representations from Deep Learning for Antibody Design
Sai Pooja Mahajan, Jeffrey J. Gray