4 citations · 4 across the 2 of their papers we have counts for
3 papers · 1 filter
CHAOS -- A Consistent Large-scale Database for Sigma-Profiles and Other Molecular Descriptors
Dominik Gond, Justus Arweiler, Thomas Specht +2
Sigma-profiles obtained from quantum-chemical calculations are key molecular descriptors for solvent selection, thermodynamic modeling, and data-driven molecular design. However, e…
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…
MLPROP -- an open interactive web interface for thermophysical property prediction with machine learning
Marco Hoffmann, Thomas Specht, Nicolas Hayer +2
Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties with unprecedented scope and accuracy. However, technical barriers like c…