2 citations · 2 across the 3 of their papers we have counts for
3 papers · 1 filter
Thermodynamically consistent machine learning model for excess Gibbs energy
Marco Hoffmann, Thomas Specht, Quirin Göttl +4
The excess Gibbs energy plays a central role in chemical engineering and chemistry, providing a basis for modeling thermodynamic properties of liquid mixtures. Predicting the exces…
SetPINNs: Set-based Physics-informed Neural Networks
Mayank Nagda, Phil Ostheimer, Thomas Specht +5
Physics-Informed Neural Networks (PINNs) solve partial differential equations using deep learning. However, conventional PINNs perform pointwise predictions that neglect dependenci…
HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
Thomas Specht, Mayank Nagda, Sophie Fellenz +3
We present the first hard-constraint neural network for predicting activity coefficients (HANNA), a thermodynamic mixture property that is the basis for many applications in scienc…