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cs.LG2024★ 1 cited
Hierarchical Matrix Completion for the Prediction of Properties of Binary Mixtures
Dominik Gond, Jan-Tobias Sohns, Heike Leitte +2
Predicting the thermodynamic properties of mixtures is crucial for process design and optimization in chemical engineering. Machine learning (ML) methods are gaining increasing att…
cs.LG2024★ 1 cited
Balancing Molecular Information and Empirical Data in the Prediction of Physico-Chemical Properties
Johannes Zenn, Dominik Gond, Fabian Jirasek +1
Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-ini…