材料可合成性与合成规划
从“能否合成”走向“如何合成”:结合物理相似性、实验文献与语言模型,评估材料可合成性并规划前驱体和工艺路线。
探索可合成性
近期学术论文
查看全部论文The Shear-Bond Descriptor and Universal Machine-Learning Potential Enable Large-Scale Discovery of Negative Thermal Expansion Materials
Guangming Chen, Shun Tian, Kaiwei Feng, Yilun Liu, Wanjian Yin, Qilong Gao, Ke Zhou
Machine-Learning Potential Molecular Dynamics Reveals the Critical Role of Flexibility in Solid-Liquid Nanofluidic Friction
Junyu Lian, Shiping Jiao, Wan-Jian Yin, Ke Zhou
Elemental Augmentation of Machine Learning Interatomic Potentials
Haibo Xue, Guanjian Cheng, Wan-Jian Yin