activity
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

collaborators
Showing 2020Show all

2 papers · 1 filter

physics.comp-ph2020★ 4 cited

Machine-learning-based sampling method for exploring local energy minima of interstitial species in a crystal

Kazuaki Toyoura, Kansei Kanayama

An efficient machine-learning-based method combined with a conventional local optimization technique has been proposed for exploring local energy minima of interstitial species in…

cond-mat.mtrl-sci2020★ 6 cited

A Sampling Strategy in Efficient Potential Energy Surface Mapping for Predicting Atomic Diffusivity in Crystals by Machine Learning

Kazuaki Toyoura, Takeo Fujii, Kenta Kanamori +1

We propose a machine-learning-based (ML-based) method for efficiently predicting atomic diffusivity in crystals, in which the potential energy surface (PES) of a diffusion carrier…