事例・論文
First-principles Theoretical Study of Chemical Reactions in Heterogeneous Catalysts
ISSP Activity Report 2019, p. 95-96…続きを読む
First-principles study of molecule/metal interfaces
ISSP Activity Report 2020, p. 122…続きを読む
Quantum Simulations on Dynamical Heterogeneous Catalysts
ISSP Activity Report 2020, p. 61-62…続きを読む
First-principles Thermodynamics and Statistical Mechanics Simulations of Catalytic Reactions at Solid Surfaces
ISSP Activity Report 2018…続きを読む