Research Topic

1. Electronic Structure Theory and Computational method for real-time electron dynamics
1

Detailed information : J. Chem. Theory Comput. 2016, 12, 1, 201-208 https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00895

2. Quantum Mechanical real-time dynamics of topological materials and spin dynamics in solid states

Detailed information :

Nat Commun 9, 638 (2018) https://www.nature.com/articles/s41467-018-02918-5

 https://www.pnas.org/content/116/10/4135

Nat Commun 10, 3965 (2019) https://www.nature.com/articles/s41467-019-11964-6

20191007_Phonon-Berry

3. Real-time Ehrenfest electron-atom dynamics of catalytic process and hydrogen production
1

Detailed information : 20191107_H2_production

4. Ab Initio study of bulk photovoltaic effect
Fig4_v13

Detailed information : In revision manuscript (will be uploaded)