Projekte: EXC 2089: e-conversion

Chau, Thanh G. ; Han, Dan ; Wolf, Florian ; Rudel, Stefan S. ; Yao, Yuxuan ; Oberhofer, Harald ; Bein, Thomas ; Ebert, Hubert ; Schnick, Wolfgang:
Defect Imide Double Antiperovskites AE₅AsPn(NH)₂ (AE=Ca, Sr; Pn=Sb, Bi) as Potential Solar Cell Absorber Materials.
In: Angewandte Chemie International Edition. Bd. 64 (2025) Heft 17 . - e202500768.
DOI: https://doi.org/10.1002/anie.202500768

Yao, Yuxuan ; Han, Dan ; Spooner, Kieran B. ; Jia, Xiaoyu ; Ebert, Hubert ; Scanlon, David O. ; Oberhofer, Harald:
Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Halide Perovskites.
In: Advanced Functional Materials. Bd. 35 (2025) Heft 1 . - 2411652.
DOI: https://doi.org/10.1002/adfm.202411652

Yao, Yuxuan ; Oberhofer, Harald:
Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization.
In: The Journal of Chemical Physics. Bd. 161 (2024) Heft 7 . - 074102.
DOI: https://doi.org/10.1063/5.0223540