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Journal Article

Title	Author(s)
Graph Neural Networks for Prediction of Fuel Ignition Quality Erschienen in: Energy & fuels (2020)	Schweidtmann, Artur M. Rittig, Jan G. König, Andrea Grohe, Martin Mitsos, Alexander Dahmen, Manuel
Nonlinear scheduling with time-variable electricity prices using sensitivity-based truncations of wavelet transforms Erschienen in: AIChE journal (2020)	Schäfer, Pascal Schweidtmann, Artur M. Mitsos, Alexander
Deterministic global superstructure-based optimization of an organic Rankine cycle Erschienen in: Computers & chemical engineering (2020)	Huster, Wolfgang Raphael Schweidtmann, Artur M. Lüthje, Jannik T. Mitsos, Alexander
Multi-scale membrane process optimization with high-fidelity ion transport models through machine learning Erschienen in: Journal of membrane science (2020)	Rall, Deniz Patrick Schweidtmann, Artur M. Kruse, Maximilian Evdochenko, Elizaveta Mitsos, Alexander Wessling, Matthias
Simultaneous rational design of ion separation membranes and processes Erschienen in: Journal of membrane science (2020)	Rall, Deniz Patrick Schweidtmann, Artur M. Aumeier, Benedikt Maximilian Kamp, Johannes Karwe, Jannik Ostendorf, Katrin Mitsos, Alexander Wessling, Matthias
Wavelet-based grid-adaptation for nonlinear scheduling subject to time-variable electricity prices Erschienen in: Computers & chemical engineering (2019)	Schäfer, Pascal Schweidtmann, Artur M. Lenz, Philipp H. A. Markgraf, Hannah M. C. Mitsos, Alexander
Automated Self-Optimisation of Multi-Step Reaction and Separation Processes Using Machine Learning Erschienen in: The chemical engineering journal (2019)	Clayton, Adam D. Schweidtmann, Artur M. Clemens, Graeme Manson, Jamie A. Taylor, Connor J. Niño, Carlos G. Chamberlain, Thomas W. Kapur, Nikil Blacker, A. John Lapkin, Alexei Bourne, Richard A.
Working fluid selection for organic rankine cycles via deterministic global optimization of design and operation Erschienen in: Optimization and engineering (2019)	Huster, Wolfgang Raphael Schweidtmann, Artur M. Mitsos, Alexander
Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis Erschienen in: Chemical science (2019)	Amar, Yehia Schweidtmann, Artur M. Deutsch, Paul Cao, Liwei Lapkin, Alexei
Deterministic Global Process Optimization: Accurate (Single-Species) Properties via Artificial Neural Networks Erschienen in: Computers & chemical engineering (2018)	Schweidtmann, Artur M. Huster, Wolfgang Raphael Lüthje, Jannik T. Mitsos, Alexander
Model-based bidding strategies on the primary balancing market for energy-intense processes Erschienen in: Computers & chemical engineering (2018)	Schäfer, Pascal Westerholt, Hermann Graf Schweidtmann, Artur M. Ilieva, Svetlina Mitsos, Alexander
Deterministic Global Optimization with Artificial Neural Networks Embedded Erschienen in: Journal of optimization theory and applications : JOTA (2018)	Schweidtmann, Artur M. Mitsos, Alexander
Rational Design of Ion Separation Membranes Erschienen in: Journal of membrane science (2018)	Rall, Deniz Patrick Menne, Daniel Schweidtmann, Artur M. Kamp, Johannes von Kolzenberg, Lars Mitsos, Alexander Wessling, Matthias
Dynamic modeling and optimization of sustainable algal production with uncertainty using multivariate Gaussian processes Erschienen in: Computers & chemical engineering (2018)	Bradford, Eric Schweidtmann, Artur M. Zhang, Dongda Jing, Keju Antonio del Rio-Chanona, Ehecatl
Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives Erschienen in: The chemical engineering journal (2018)	Schweidtmann, Artur M. Clayton, Adam D. Holmes, Nicholas Bradford, Eric Bourne, Richard A. Lapkin, Alexei
Correction to: Efficient multiobjective optimization employing Gaussian processes, spectral sampling and a genetic algorithm Erschienen in: Journal of global optimization (2018)	Bradford, Eric Schweidtmann, Artur M. Lapkin, Alexei
Efficient multiobjective optimization employing Gaussian processes, spectral sampling and a genetic algorithm Erschienen in: Journal of global optimization (2018)	Bradford, Eric Schweidtmann, Artur M. Lapkin, Alexei
The concept of selectivity control by simultaneous distribution of the oxygen feed and wall temperature in a microstructured reactor Erschienen in: The chemical engineering journal (2017)	Aworinde, Samson M. Schweidtmann, Artur M. Lapkin, Alexei
A Multiobjective Optimization Including Results of Life Cycle Assessment in Developing Biorenewables-Based Processes Erschienen in: ChemSusChem (2017)	Helmdach, Daniel Yaseneva, Polina Heer, Parminder K. Schweidtmann, Artur M. Lapkin, Alexei
Techno-economic Optimization of a Green-Field Post-Combustion CO2 Capture Process Using Superstructure and Rate-Based Models Erschienen in: Industrial & engineering chemistry research (2016)	Lee, Ung Burre, Jannik Caspari, Adrian Kleinekorte, Johanna Schweidtmann, Artur M. Mitsos, Alexander

 

Contribution to a conference proceedings

Titel	Author(s)
Deterministic global nonlinear model predictive control with recurrent neural networks embedded Published in: [IFAC World Congress 2020, Ifac 2020, 2020-07-11 - 2020-07-17, Berlin, Germany] (2020)	Doncevic, D. T. Schweidtmann, Artur M. Vaupel, Yannic Schäfer, Pascal Caspari, Adrian Mitsos, Alexander
Deterministic Global Process Optimization : Flash Calculations via Artificial Neural Networks Published in: 29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part A (2019)	Schweidtmann, Artur M. Bongartz, Dominik Huster, Wolfgang Raphael Mitsos, Alexander
Impact of Accurate Working Fluid Properties on the Globally Optimal Design of an Organic Rankine Cycle Published in: FOCAPD-19/proceedings of the 9th International Conference on Foundations of Computer-Aided Process Design, July 14-18, 2019 / edited by Salvador Garcia Munoz, Carl D. Laird, Matthew J. Realff (2019)	Huster, Wolfgang Raphael Schweidtmann, Artur M. Mitsos, Alexander
Working fluid selection for organic rankine cycles via deterministic global optimization of design and operation Published in: Optimization and engineering (2019)	Huster, Wolfgang Raphael Schweidtmann, Artur M. Mitsos, Alexander
Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning Published in: ACS national meeting. - 256 (2018)	Amar, Yehia Schweidtmann, Artur M. Deutsch, Paul Lapkin, Alexei

 

Conference Presentation

Title	Author(s)
Simultaneous data-driven development of membranes and processes (2020)	Rall, Deniz Patrick Schweidtmann, Artur M. Aumeier, Benedikt Maximilian Kamp, Johannes Mitsos, Alexander Wessling, Matthias
Global optimization with hybrid models embedded (2020)	Schweidtmann, Artur M. Mitsos, Alexander
Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks (2020)	Rittig, Jan Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Grohe, Martin Mitsos, Alexander
Maximizing the acquisition function of Bayesian optimization to guaranteed global optimality (2020)	Schweidtmann, Artur M. Bongartz, Dominik Najman, Jaromil Mitsos, Alexander
Multi-objective self-optimisation of complex continuous flow processes (2019)	Clayton, A. Schweidtmann, Artur M. Holmes, N. Bradford, E. Lapkin, A. Bourne, R.
Global Optimization with Machine-Learning Surrogate Models Embedded (2019)	Schweidtmann, Artur M. Mitsos, Alexander
Geometrieoptimierung eines kontinuierlichen Millireaktors mittels CFD und maschinellem Lernen (2019)	Begall, Moritz Johannes Schweidtmann, Artur M. Mhamdi, Adel Mitsos, Alexander
Global optimization with neural networks embedded: theory, applications, and future work (2019)	Schweidtmann, Artur M. Bongartz, Dominik Huster, Wolfgang Raphael Najman, Jaromil Rall, Deniz Patrick Schäfer, Pascal Wessling, Matthias Mitsos, Alexander
A Hybrid Stochastic/Gradient-Based Multi-Objective Dynamic Optimization of Vacuum Swing Adsorption (2019)	Hao, Zhimian Schweidtmann, Artur M. Vaupel, Yannic Caspari, Adrian Lapkin, Alexei Mhamdi, Adel Mitsos, Alexander
Reduced Space Formulation for Global Optimization with Gaussian Processes (Kriging) Embedded (2019)	Schweidtmann, Artur M. Lin, Xiaopeng Mitsos, Alexander
MAiNGO - McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization (2019)	Mitsos, Alexander Najman, Jaromil Bongartz, Dominik Saß, Susanne Djelassi, Hatim Jungen, Daniel Huster, Wolfgang Raphael Burre, Jannik Karacasulu, Kaan Schweidtmann, Artur M.
MAiNGO - McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization (2019)	Najman, Jaromil Bongartz, Dominik Saß, Susanne Burre, Jannik Djelassi, Hatim Huster, Wolfgang Raphael Karacasulu, Kaan Schweidtmann, Artur M. Mitsos, Alexander
Machine learning meets continuous flow chemistry: Multi-objective self-optimisation (2019)	Clayton, Adam David Schweidtmann, Artur M. Holmes, Nicholas Bradford, Eric Lapkin, Alexei Bourne, Richard
Reduced Space Formulation for Global Optimization with Artificial Neural Networks Embedded (2018)	Schweidtmann, Artur M. Mitsos, Alexander
Global Deterministic Surrogate-Based Process Design (2018)	Schweidtmann, Artur M. Huster, Wolfgang Raphael Mitsos, Alexander
Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning (2018)	Amar, Yehar Schweidtmann, Artur M. Deutsch, Paul Lapkin, Alexei
Artificial Neural Networks Design Layer-by-Layer Nanofiltration Membranes (2018)	Rall, Deniz Menne, Daniel Schweidtmann, Artur M. Kamp, J. von Kolzenberg, L.
Deterministisch globale Optimierung von hybriden Prozessmodellen mit künstlichen neuronalen Netzen (2018)	Schweidtmann, Artur M. Huster, Wolfgang Raphael Bongartz, Dominik Mitsos, Alexander
Modelloptimierte Produktionsplanung für energieintensive Elektrolyseprozesse unterschwankenden Energiepreisen (2018)	Brée, Luisa Carola Schäfer, Pascal Schweidtmann, Artur M. Mitsos, Alexander
Production of terpene-based intermediates from industrial waste feedstocks: integrated environmental assessment and process modelling study (2018)	Yaseneva, P Helmdach, D. Heer, P. Schweidtmann, Artur M. Lapkin, Alexei
FlexASU: Flexibilisierung des Betriebs von Luftzerlegungsanlagen (2017)	Mitsos, Alexander Klein, Harald Schliebitz, Florian Peschel, Andreas Mhamdi, Adel Lochner, Stefan Schweidtmann, Artur M. Caspari, Adrian Haider, Patrick Kender, Robert Rehfeldt, Sebastian Schäfer, Pascal

 

Presentation

Title	Author(s)
Global optimization with machine-learning models embedded (2020)	Schweidtmann, Artur M. Mitsos, Alexander
Combining machine learning and optimization for optimal design and operation of processes (2020)	Schweidtmann, Artur M. Bongartz, Dominik Huster, Wolfgang Raphael Najman, Jaromil Rall, Deniz Patrick Wessling, Matthias Lapkin, A. Mitsos, Alexander
Deterministic Global Optimization of Artificial Neural Networks (2018)	Schweidtmann, Artur M. Mitsos, Alexander

 

Poster

Title	Author(s)
Graph Neural Networks for Prediction of Fuel Ignition Quality (2020)	Rittig, Jan Schweidtmann, Artur M. König, Andrea Ackermann, Philipp Dahmen, Manuel Grohe, M. Mitsos, Alexander
Multi-objective Bayesian optimisation of a tree-step synthesis of terephthalic acid from crude sulphate turpentine (2020)	Jorayev, P Russo, D. Schweidtmann, Artur M. Deutsch, P. Lapkin, A.
Nonlinear Dynamic System Identification of Monoclonal Antibody Production (2019)	Shabnam, Fathima Romanov, Anna Kappatou, Chrysoula Dimitra Schweidtmann, Artur M. Mitsos, Alexander
Optimization of Flowsheets via Surrogate Models (2019)	Hao, Z. Schweidtmann, Artur M. Lapkin, Alexei
Optimization-Based Retrofit of a Cryogenic Air Separation Unit for Flexible Operation (2018)	Schweidtmann, Artur M. Schäfer, Pascal Caspari, Adrian Seele, Hagen Padberg, Pascal Offermanns, Christoph Mhamdi, Adel Mitsos, Alexander
Deterministic Global Optimization of Bio-Processes Using Artificial Neural Network Surrogate Modeling (2018)	Schweidtmann, Artur M. Graß, Nils Mitsos, Alexander
Feasibility of selectivity improvement in a novel microstructured membrane reactor (2017)	Aworinde, Samson M. Schweidtmann, Artur M. Lapkin, Alexei
Process Design for Optimal Dynamic Operation of a Cryogenic Air Separation Unit (2017)	Padberg, Pascal Schweidtmann, Artur M. Caspari, Adrian Schäfer, Pascal Mhamdi, Adel Mitsos, Alexander
Advanced Process Control for Optimal Operation of an Air Separation Unit under Fast-Changing Market Dynamics (2017)	Bering, Luise Schäfer, Pascal Caspari, Adrian Schweidtmann, Artur M. Mhamdi, Adel Mitsos, Alexander
Utilizing machine learning for the multi-objective self-optimisation of chemical reaction systems (2017)	Schweidtmann, Artur M. Homles, Nicholas Bradford, E. Bourne, R. Lapkin, Alexei
Multi-objective Optimization of Expensive Simulations for Efficient and Sustainable Chemical Processes (2016)	Schweidtmann, Artur M. Bradford, Eric Helmdach, Daniel Yaseneva, Polina Heer, Parminder Kaur Lapkin, Alexei