1 citations · 1 across the 3 of their papers we have counts for
4 papers
Axial thermal expansion from free-energy minimization with temperature-dependent force constants in phonopy: a technical report, with - and -Ti as the worked example
Atsushi Togo
In a hexagonal crystal the and axes change their lengths at different rates with increasing temperature, and the thermal expansion is described by two coefficients, one for…
Scalable construction of force-constant basis sets for large-scale anharmonic lattice-dynamical calculations
Atsuto Seko, Atsushi Togo
A projector-based formulation of force constants in crystalline materials provides a systematic framework for constructing force-constant bases and determining force constants from…
Projector-based efficient estimation of force constants
Atsuto Seko, Atsushi Togo
Estimating force constants for crystal structures is crucial for calculating various phonon-related properties. However, this task becomes particularly challenging when dealing wit…
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
Atsushi Togo, Atsuto Seko
The application of first-principles calculations for predicting lattice thermal conductivity (LTC) in crystalline materials, in conjunction with the linearized phonon Boltzmann equ…