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1篇 您的检索式：作者名="Jatin N.Kumar"

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		题名	作者	年代	出处	被引量
	1	Machine learning enables polymer cloud-point engineering via inverse design显示文摘Inverse design is an outstanding challenge in disordered systems with multiple length scales such as polymers,particularly when designing polymers with desired phase behavior.Here we demonstrate high-accuracy tuning of poly(2-oxazoline)cloud point via machine learning.With a design space of four repeating units and a range of molecular masses,we achieve an accuracy of 4℃ root mean squared error(RMSE)in a temperature range of 24–90℃,employing gradient boosting with decision trees.The RMSE is>3x better than linear and polynomial regression.We perform inverse design via particle-swarm optimization,predicting and synthesizing 17 polymers with constrained design at 4 target cloud points from 37 to 80℃.Our approach challenges the status quo in polymer design with a machine learning algorithm,that is capable of fast and systematic discovery of new polymers.	Jatin N.Kumar Qianxiao Li Karen Y.T.Tang Tonio Buonassisi Anibal L.Gonzalez-Oyarce Jun Ye	2019	npj Computational Materials2019，，1：	4

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