51 citations · 70 across the 4 of their papers we have counts for
7 papers
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…
Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
Atsuto Seko, Atsushi Togo, Isao Tanaka
Many rotational invariants for crystal structure representations have been used to describe the structure-property relationship by machine learning. The machine learning interatomi…
Lattice thermal conductivities of two SiO polymorphs by first-principles calculation and phonon Boltzmann transport equation
Keiyu Mizokami, Atsushi Togo, Isao Tanaka
Lattice thermal conductivities of two SiO polymorphs, i.e., -quartz (low) and -cristobalite (low), were studied using first-principles anharmonic phonon calculation and l…
Descriptors for Machine Learning of Materials Data
Atsuto Seko, Atsushi Togo, Isao Tanaka
Descriptors, which are representations of compounds, play an essential role in machine learning of materials data. Although many representations of elements and structures of compo…
Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors
Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson +4
In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering…
First principles phonon calculations in materials science
Atsushi Togo, Isao Tanaka
Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles…