First-principles Theoretical Study of Chemical Reactions in Heterogeneous Catalysts
ISSP Activity Report 2019, p. 95-96…続きを読む
Ab Initio Calculation of High-Rate Deposition of Copper Film by Low-Pressure Chemical Vapor Deposition with CuI on Ru Substrate
ISSP Activity Report 2019, p. 158…続きを読む
First-principles calculations of thermoelectric properties in magnetic materials
ISSP Activity Report 2019, p. 70-71…続きを読む
first-principles calculation of exchange coupling constants and investigation of interface magnetism for various phases and their interfaces of permanent magnets
ISSP Activity Report 2019, p. 115-116…続きを読む
First-principles study on the stability of magnetic alloys
ISSP Activity Report 2019, p. 105…続きを読む
Systematics of Curie temperature in rare earth permanent magnet materials
ISSP Activity Report 2019, p. 147…続きを読む
Variational Monte Carlo calculation of two-dimensional Wigner crystal under lattice commensurability
ISSP Activity Report 2019, p. 210…続きを読む
MatDaCsポータルサイトでのPHYSBOの事例紹介
事例紹介 ベイズ最適化のためのPythonライブラリPHYSBO 田村亮（物質・材料研究機構）吉見一慶（東京大学物性研究所）…続きを読む