Efficient modeling of dynamic properties in K₃C₆₀ using machine learning forc...

Fullerides forms a big familiy of molecular crystals exhibiting various useful electro- and magnetochemical properties. Therefore, an efficient in silico method is desirable to...富勒烯化物（Fullerides）构成了一类规模庞大的分子晶体家族，展现出多种极具应用价值的电化学与磁化学性质。因此，开发一种高效的计算机模拟（in silico）方法实属必要，以...