High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning

Oliver T. Unke, Debasish Koner, Sarbani Patra, Silvan Käser, Markus Meuwly. High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning. Mach. Learn. Sci. Technol., 1(1):13001, 2020. [doi]

Abstract

Abstract is missing.