4 papers
Deep-learning Hamiltonian reveals twist-tunable flat bands and nonlinear photocurrents in SrTiO3 moire bilayers
Meiyang Yu, Chen Shen, Ruiwen Xie +3
The extension of moire physics to complex oxides offers new ways to manipulate electronic states, but the large oxide moire supercells make systematic first-principles calculations…
Accelerated Design of Mechanically Hard Magnetically Soft High-entropy Alloys via Multi-objective Bayesian Optimization
Mian Dai, Yixuan Zhang, Weijia He +7
Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and mag…
Information-Theoretic Multi-Model Fusion for Target-Oriented Adaptive Sampling in Materials Design
Yixuan Zhang, Zhiyuan Li, Weijia He +4
Target-oriented discovery under limited evaluation budgets requires making reliable progress in high-dimensional, heterogeneous design spaces where each new measurement is costly,…
High-throughput screening of spin Hall conductivity in 2D materials
Fu Li, Xiaoxiong Liu, Vikrant Chaudhary +4
Two-dimensional (2D) materials with large spin Hall effect (SHE) have attracted significant attention due to their potential applications in next-generation spintronic devices. In…