Structure, Energy, and Thermal Transport Properties of Si-SiO${}_2$ Nanostructures using an Ab initio based Parameterization of a Charge-Optimized Many-Body Forcefield

Arthur France-Lanord, Patrick Soukiassian, Christian Glattli +1

In an effort to extend the reach of current ab initio calculations to simulations requiring millions of configurations for complex systems such as heterostructures, we have paramet…