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pro vyhledávání: '"Hasse, Hans"'
Self-diffusion coefficients give insight into the mobility of molecular species and serve as benchmark variables for molecular modeling. Nuclear magnetic resonance (NMR) spectroscopy is an excellent method for the measurement of self-diffusion coeffi
Externí odkaz:
https://ul.qucosa.de/id/qucosa%3A38653
https://ul.qucosa.de/api/qucosa%3A38653/attachment/ATT-0/
https://ul.qucosa.de/api/qucosa%3A38653/attachment/ATT-0/
Autor:
Hartung, Fabian, Franks, Billy Joe, Michels, Tobias, Wagner, Dennis, Liznerski, Philipp, Reithermann, Steffen, Fellenz, Sophie, Jirasek, Fabian, Rudolph, Maja, Neider, Daniel, Leitte, Heike, Song, Chen, Kloepper, Benjamin, Mandt, Stephan, Bortz, Michael, Burger, Jakob, Hasse, Hans, Kloft, Marius
This paper provides the first comprehensive evaluation and analysis of modern (deep-learning) unsupervised anomaly detection methods for chemical process data. We focus on the Tennessee Eastman process dataset, which has been a standard litmus test t
Externí odkaz:
http://arxiv.org/abs/2303.05904
Autor:
Jirasek, Fabian, Bamler, Robert, Fellenz, Sophie, Bortz, Michael, Kloft, Marius, Mandt, Stephan, Hasse, Hans
Publikováno v:
Chemical Science 13 (2022) 4854-4862
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On the other
Externí odkaz:
http://arxiv.org/abs/2209.00605
Publikováno v:
In Fluid Phase Equilibria October 2024 585
Embeddings of high-dimensional data are widely used to explore data, to verify analysis results, and to communicate information. Their explanation, in particular with respect to the input attributes, is often difficult. With linear projects like PCA
Externí odkaz:
http://arxiv.org/abs/2108.08706
Publikováno v:
In Journal of Molecular Liquids 1 February 2024 395
Publikováno v:
In Studies in History and Philosophy of Science February 2024 103:105-113
Autor:
Jirasek, Fabian, Alves, Rodrigo A. S., Damay, Julie, Vandermeulen, Robert A., Bamler, Robert, Bortz, Michael, Mandt, Stephan, Kloft, Marius, Hasse, Hans
Publikováno v:
J. Phys. Chem. Lett. 11 (2020) 981-985
Activity coefficients, which are a measure of the non-ideality of liquid mixtures, are a key property in chemical engineering with relevance to modeling chemical and phase equilibria as well as transport processes. Although experimental data on thous
Externí odkaz:
http://arxiv.org/abs/2001.10675
Publikováno v:
In Applications in Energy and Combustion Science September 2023 15
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