Due to its characteristics of high electron mobility, moderate band gap, excellent radiation resistance, and high-frequency performance, gallium arsenide (GaAs) is widely used as an important semiconductor material in microelectronics and optoelectronics. Here, we systematically investigated the crystallization mechani...
Hongbin Zhang, Zijun Meng, Haichao Li et al.· Inorganic Chemistry· 0 citations
DynStabNet is designed as a fast surrogate model to accelerate the prescreening of candidate structures prior to subsequent MLIP- or DFT-based phonon validation, and achieves an accuracy of 97% while reducing the evaluation time per structure from several hours to approximately 1 ms.
Haichao Li, Zian Chen, Tao He et al.· Journal of Physical Chemistr...· 0 citations
This work proposes a toolset-first paradigm for intelligent computation that decouples the tools from the agents via the model context protocol (MCP), and constructs four MCP servers, HEA-MCP, VASP-MCP, LAMMPS-MCP, and OpenClaw-MCP.
Jin Zhao, Haichao Li, Tao He et al.· Journal of Physical Chemistr...· 0 citations
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