2 papers
cond-mat.mtrl-sci2026
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Li Fu, Longfei Lv, Fan Zhang +3
Singlet fission (SF) provides a promising strategy for surpassing the Shockley-Queisser limit in photovoltaics. However, the identification of efficient SF materials is hindered by…
cond-mat.mtrl-sci2025
Efficiently charting the space of mixed vacancy-ordered perovskites by machine-learning encoded atomic-site information
Fan Zhang, Li Fu, Weiwei Gao +2
Vacancy-ordered double perovskites (VODPs) are promising alternatives to three-dimensional lead halide perovskites for optoelectronic and photovoltaic applications. Mixing these ma…