activity
20152022
most citedQuantum deep field: data-driven wave function, electron density generation, and atomization energy prediction and extrapolation with machine learning

89 citations · 230 across the 9 of their papers we have counts for

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Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015★ 22 cited

Effect of van der Waals interactions on the stability of SiC polytypes

Sakiko Kawanishi, Teruyasu Mizoguchi

Density functional theory calculations with a correction of the long-range dispersion force, namely the van der Waals (vdW) force, are performed for SiC polytypes. The lattice para…

cond-mat.mtrl-sci2015★ 88 cited

Prediction of grain boundary structure and energy by machine learning

Shin Kiyohara, Tomohiro Miyata, Teruyasu Mizoguchi

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain…