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physics.chem-ph2022
Making Thermodynamic Models of Mixtures Predictive by Machine Learning: Matrix Completion of Pair Interactions
Fabian Jirasek, Robert Bamler, Sophie Fellenz +4
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (c…
math.OC2022
Computing T-optimal designs via nested semi-infinite programming and twofold adaptive discretization
David Mogalle, Philipp Seufert, Jan Schwientek +2
Modeling real processes often results in several suitable models. In order to be able to distinguish, or discriminate, which model best represents a phenomenon, one is interested,…