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09/18/2023
What does ChatGPT know about natural science and engineering?
ChatGPT is a powerful language model from OpenAI that is arguably able t...
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08/31/2023
Data-driven Product-Process Optimization of N-isopropylacrylamide Microgel Flow-Synthesis
Microgels are cross-linked, colloidal polymer networks with great potent...
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08/15/2023
Deep reinforcement learning for process design: Review and perspective
The transformation towards renewable energy and feedstock supply in the ...
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02/07/2023
Data augmentation for machine learning of chemical process flowsheets
Artificial intelligence has great potential for accelerating the design ...
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02/07/2023
Transfer learning for process design with reinforcement learning
Process design is a creative task that is currently performed manually b...
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08/01/2022
Learning from flowsheets: A generative transformer model for autocompletion of flowsheets
We propose a novel method enabling autocompletion of chemical flowsheets...
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07/27/2022
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction
Graph neural networks (GNNs) are emerging in chemical engineering for th...
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07/25/2022
SFILES 2.0: An extended text-based flowsheet representation
SFILES is a text-based notation for chemical process flowsheets. It was ...
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07/25/2022
Flowsheet synthesis through hierarchical reinforcement learning and graph neural networks
Process synthesis experiences a disruptive transformation accelerated by...
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06/23/2022
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids
Ionic liquids (ILs) are important solvents for sustainable processes and...
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06/01/2022
Graph Machine Learning for Design of High-Octane Fuels
Fuels with high-knock resistance enable modern spark-ignition engines to...
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05/21/2020