1 citations · 1 across the 3 of their papers we have counts for
3 papers
cond-mat.dis-nn2024
First-principles calculation of the entropy of liquids with a case study on sodium
Koun Shirai, Hiroyoshi Momida, Kazunori Sato +1
Despite increasing demands for the thermodynamic data of liquids in a wide range of science and engineering fields, there is a still a considerable lack of reliable data over a wid…
cond-mat.mtrl-sci2024
Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations
Koun Shirai, Hiroyoshi Momida, Kazunori Sato +1
Although the melting temperature, , of a solid can be calculated based on first-principles molecular dynamics (FP-MD) simulations, systematic assessments of the accuracy of…
cond-mat.soft2022★ 1 cited
First-principles study on the specific heat jump in the glass transition of silica glass and the Prigogine-Defay ratio
Koun Shirai, Kota Watanabe, Hiroyoshi Momida
The most important characteristic of glass transition is a jump in specific heat . Despite its significance, no standard theory exists to describe it. In this study, first-…