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1

Journal Article

Graph machine learning for design of high‐octane fuels

Rittig, Jan G.
2023

AIChE journal, 69 (2023) 4, S. e17971

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess Restricted

2

Journal Article

Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning

Fleitmann, Lorenz
2023

Energy & fuels, 37 (2023) 3, S. 2213–2229

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess

3

Contribution to a book
Contribution to a conference proceedings

Parameter estimation and dynamic optimization of an industrial fed-batch reactor

Rittig, Jan G.
2023

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess

4

Journal Article

Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids

Rittig, Jan G.
2023

Computers & chemical engineering, 171 (2023) S. 108153 -

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess

5

Journal Article

Physical pooling functions in graph neural networks for molecular property prediction

Schweidtmann, Artur M.
2023

Computers & chemical engineering, 172 (2023) S. 108202 -

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess

6

Journal Article

Gibbs–Duhem-informed neural networks for binary activity coefficient prediction

Rittig, Jan G.
2023

Digital discovery, 2 (2023) 6, S. 1752 - 1767

“...Modellierung von Energiesystemen; IEK-10 Modellierung von Energiesystemen...”
OpenAccess

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