1.5k citations · 5.8k across the 40 of their papers we have counts for
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physics.comp-ph2020★ 55 cited
Application of machine learning potentials to predict grain boundary properties in fcc elemental metals
Takayuki Nishiyama, Atsuto Seko, Isao Tanaka
Accurate interatomic potentials are in high demand for large-scale atomistic simulations of materials that are prohibitively expensive by density functional theory (DFT) calculatio…
cond-mat.mtrl-sci2020★ 4 cited
Phonon structure of titanium under shear deformation along twinning mode
Atsushi Togo, Yuta Inoue, Isao Tanaka
We investigated phonon behavior of hexagonal close packed titanium under homogeneous shear deformation corresponding to the twinning mode using first-principles ca…
physics.comp-ph2020★ 3 cited
Derivative structure enumeration using binary decision diagram
Kohei Shinohara, Atsuto Seko, Takashi Horiyama +3
A derivative structure is a nonequivalent substitutional atomic configuration derived from a given primitive cell. The enumeration of derivative structures plays an essential role…