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2篇 您的检索式：作者名="Peter Lile"

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		题名	作者	年代	出处	被引量
	1	Precast Concrete Double-Tee Connections, part 1: Tension Behavior 显示文摘	Naito C Liling Cao Wesley Peter	2009	PCI Journal2009，，2：	1
	2	Accelerated prediction of atomically precise cluster structures using on-the-fly machine learning显示文摘The chemical and structural properties of atomically precise nanoclusters are of great interest in numerous applications,but predicting the stable structures of clusters can be computationally expensive.In this work,we present a procedure for rapidly predicting low-energy structures of nanoclusters by combining a genetic algorithm with interatomic potentials actively learned on-the-fly.Applying this approach to aluminum clusters with 21 to 55 atoms,we have identified structures with lower energy than any reported in the literature for 25 out of the 35 sizes.Our benchmarks indicate that the active learning procedure accelerated the average search speed by about an order of magnitude relative to genetic algorithm searches using only density functional calculations.This work demonstrates a feasible way to systematically discover stable structures for large nanoclusters and provides insights into the transferability of machine-learned interatomic potentials for nanoclusters.	Yunzhe Wang Shanping Liu Peter Lile Sam Norwood Alberto Hernandez Sukriti Manna Tim Mueller	2022	npj Computational Materials2022，，1：	0

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