1. Electronic Structure Theory and Computational method for real-time electron dynamics
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 :
[1] Nature Communications 9, 638 (2018) https://www.nature.com/articles/s41467-018-02918-5
https://www.pnas.org/content/116/10/4135
[3] Nature Communications 10, 3965 (2019) https://www.nature.com/articles/s41467-019-11964-6
3. Real-time Ehrenfest electron-atom dynamics of catalytic process and hydrogen production
Detailed information : 20191107_H2_production
4. Ab Initio study of bulk photovoltaic effect
Detailed information : https://doi.org/10.1038/s41524-020-0272-2