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20152026
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 · 115 across the 11 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 2 cited

Multi-Hill Strategy in Metadynamics for Interstitial Diffusion in Crystals

Kazuaki Toyoura

We propose an efficient and general strategy of metadynamics (MetaD) for investigating interstitial diffusion in a crystal by exploiting crystallographic symmetry. Assuming complet…