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

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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]

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