3 citations · 4 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2026
Engineering Grain Boundary Commensurability for Ferroelectric Stabilization in Hafnia-Based Films
Chuqiao Shi, Xinyan Li, Xing He +11
Grain boundaries fundamentally dictate the macroscopic properties of polycrystalline materials by breaking long-range symmetry. In ferroelectrics, these structural discontinuities…
cs.AI2025★ 1 cited
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists
Lianhao Zhou, Hongyi Ling, Keqiang Yan +5
We aim at designing language agents with greater autonomy for crystal materials discovery. While most of existing studies restrict the agents to perform specific tasks within prede…
cs.LG2025★ 3 cited
A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures
Keqiang Yan, Montgomery Bohde, Andrii Kryvenko +10
Machine learning interatomic potentials (MLIPs) can predict energy, force, and stress of materials and enable a wide range of downstream discovery tasks. A key design choice in MLI…