34 citations · 34 across the 1 of their papers we have counts for
2 papers
cs.LG2026
Multi-objective fluorescent molecule design with a data-physics dual-driven generative framework
Yanheng Li, Zhichen Pu, Lijiang Yang +2
Designing fluorescent small molecules with tailored optical and physicochemical properties requires navigating vast, underexplored chemical space while satisfying multiple objectiv…
quant-ph2021★ 34 cited
Non-collinear density functional theory
Zhichen Pu, Hao Li, Qiming Sun +6
An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies…