2 papers
cond-mat.mtrl-sci2025
Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures
Yu Xin, Peng Liu, Zhuohang Xie +6
Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experi…
cond-mat.mtrl-sci2025
Boron-assisted synthesis of compositionally complex amorphous oxides via short-range-order-constrained generative design
Honglin Li, Chuhao Liu, Yongfeng Guo +19
Engineering short-range atomic order in amorphous materials offers a promising yet still underexplored route to high-performance solids. Here, we establish a boron-assisted amorphi…