63 citations · 162 across the 6 of their papers we have counts for
3 papers · 1 filter
Ring-originated anisotropy of local structural ordering in amorphous and crystalline silicon dioxide
Motoki Shiga, Akihiko Hirata, Yohei Onodera +1
Rings comprising chemically bonded atoms are essential topological motifs for the structural ordering of network-forming materials. Quantification of such larger motifs beyond shor…
Cost-effective search for lower-error region in material parameter space using multifidelity Gaussian process modeling
Shion Takeno, Yuhki Tsukada, Hitoshi Fukuoka +3
Information regarding precipitate shapes is critical for estimating material parameters. Hence, we considered estimating a region of material parameter space in which a computation…
A 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
Kazuaki Toyoura, Daisuke Hirano, Atsuto Seko +5
In this paper, we propose a selective sampling procedure to preferentially evaluate a potential energy surface (PES) in a part of the configuration space governing a physical prope…