1 citations · 1 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025
Equivariant Atomic and Lattice Modeling Using Geometric Deep Learning for Crystal Structure Optimization
Ziduo Yang, Yi-Ming Zhao, Xian Wang +3
Structure optimization, which yields the relaxed structure (minimum-energy state), is essential for reliable materials property calculations, yet traditional ab initio approaches s…
cond-mat.mtrl-sci2025
Lifting spin degeneracy in rhombohedral trilayer graphene for high magnetoresistance applications
Lishu Zhang, Jun Zhou, Jie Yang +4
Many exotic properties in rhombohedral (or ABC-stacked) multilayer graphene have recently been reported experimentally. In this Letter, we first reveal the underlying mechanism of…
cond-mat.mtrl-sci2024★ 1 cited
Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification
Ziduo Yang, Yi-Ming Zhao, Xian Wang +6
In computational molecular and materials science, determining equilibrium structures is the crucial first step for accurate subsequent property calculations. However, the recent di…