A GRU neural network trained on ring-statistics time series from TIP4P/2005 water simulations predicts thermodynamic response functions, with mixed extrapolation accuracy to unseen isobars.
The Journal of chemical physics 100(8), 5910–5912 (1994)
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Predicting Thermodynamics of Liquid Water from Time Series Analysis
A GRU neural network trained on ring-statistics time series from TIP4P/2005 water simulations predicts thermodynamic response functions, with mixed extrapolation accuracy to unseen isobars.