4 papers
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…
Physics-informed Bayesian Optimization for Quantitative High-Resolution Transmission Electron Microscopy
Xiankang Tang, Yixuan Zhang, Juri Barthel +4
Quantitative high-resolution transmission electron microscopy (HRTEM) provides an indispensable means to understand the structure-property relationships of a material in atomic dim…
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,…
SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System
Chen Shen, Siamak Attarian, Yixuan Zhang +4
Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development…