Browsing by Author "Artrith, Nongnuch"
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ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training
López Zorrilla, Jon; Méndez Aretxabaleta, Xabier; Yeu, In Won; Etxebarria Altzaga, Iñigo ; Manzano Moro, Hegoi ; Artrith, Nongnuch (AIP, 2023-04)In this work, we present ænet-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extension of the atomic energy network (ænet), ...