Research Projects

SLICES:一种可逆晶体表示法及在人工智能驱动的晶体逆向设计中的应用 An invertible, invariant crystallographic representation for inverse design of solid-state materials using generative deep learning

SLICES:一种可逆晶体表示法及在人工智能驱动的晶体逆向设计中的应用 An invertible, invariant crystallographic representation for inverse design of solid-state materials using generative deep learning

Read more »
新型OLED材料的高通量量子化学预测与筛选 Discovery of new organic light-emitting diode (OLED) materials with high-throughput screening

新型OLED材料的高通量量子化学预测与筛选 Discovery of new organic light-emitting diode (OLED) materials with high-throughput screening

Read more »
反常水解反应 Abnormal hydrolysis of ions

反常水解反应 Abnormal hydrolysis of ions

纳米水团簇中的离子水解反应研究 Hydrolysis of ions in nanoscale water clusters: a mechanism study

Read more »
理论预测新型二维材料 De novo discovery of novel 2D materials

理论预测新型二维材料 De novo discovery of novel 2D materials

Read more »
二维黑磷ReaxFF反应力场开发 Development of a reactive force field for phosphorene

二维黑磷ReaxFF反应力场开发 Development of a reactive force field for phosphorene

Read more »