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Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces
11 November 2016

DFT computations (VASP) and high-dimensional neural network potential were employed to investigate water–copper interfaces as a prototypical case. Solid–liquid interfaces have received considerable attention in recent years due to their central role in many technologically relevant fields. Thus, understanding the structural and dynamical properties of the interfacial water molecules is of vital importance.

Home / Publications review / Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces