Silicon Liquid Structure and Crystal Nucleation from <i>Ab Initio</i> Deep Metadynamics
Silicon Liquid Structure and Crystal Nucleation from <i>Ab Initio</i> Deep Metadynamics
Studying the crystallization process of silicon is a challenging task since empirical potentials are not able to reproduce well the properties of both semiconducting solid and metallic liquid. On the other hand, nucleation is a rare event that occurs in much longer timescales than those achievable by ab-initio molecular dynamics. …