activity
20102026
most citedA machine learning-based selective sampling procedure for identifying the low energy region in a potential energy surface: a case study on proton conduction in oxides

63 citations · 230 across the 28 of their papers we have counts for

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Showing 2017Show all

2 papers · 1 filter

physics.chem-ph2017★ 37 cited

Exploring a potential energy surface by machine learning for characterizing atomic transport

Kenta Kanamori, Kazuaki Toyoura, Junya Honda +7

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for the atomic transport…

cond-mat.mtrl-sci2017★ 7 cited

Knowledge-Transfer based Cost-effective Search for Interface Structures: A Case Study on fcc-Al [110] Tilt Grain Boundary

Tomohiro Yonezu, Tomoyuki Tamura, Ichiro Takeuchi +1

Determining the atomic configuration of an interface is one of the most important issues in materials science research. Although theoretical simulations are effective tools, an exh…