Data from \"Signatures of a liquid-liquid transition in an ab initio deep neural network model for water\"

Thomas Gartner, Linfeng Zhang, Pablo Miguel Piaggi, Roberto Car, Athanassios Panagiotopoulos & Pablo Debenedetti
This dataset contains all data related to the publication "Signatures of a liquid-liquid transition in an ab initio deep neural network model for water", by Gartner et al., 2020. In this work, we used neural networks to generate a computational model for water using high-accuracy quantum chemistry calculations. Then, we used advanced molecular simulations to demonstrate evidence that suggests this model exhibits a liquid-liquid transition, a phenomenon that can explain many of water's anomalous properties....
1 citation reported since publication in 2020.
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