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.
Physical review letters 119(13), 136002 (2017)
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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.