As mentioned in Section 13.15, the semi-empirical, ab initio, a... | Filo

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions

Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics