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cond-mat.soft2018
Machine learning enables polymer cloud-point engineering via inverse design
Jatin N. Kumar, Qianxiao Li, Karen Y. T. Tang +3
Inverse design is an outstanding challenge in disordered systems with multiple length scales such as polymers, particularly when designing polymers with desired phase behavior. We…
cond-mat.mtrl-sci2018
Graph Convolutional Neural Networks for Polymers Property Prediction
Minggang Zeng, Jatin Nitin Kumar, Zeng Zeng +3
A fast and accurate predictive tool for polymer properties is demanding and will pave the way to iterative inverse design. In this work, we apply graph convolutional neural network…