Journal Article

Title Author(s)
Globally optimal working fluid mixture composition for geothermal power cycles
Erschienen in: Energy : the international journal (2020)
Huster, Wolfgang Raphael
Schweidtmann, Artur M.
Mitsos, Alexander (Corresponding author)
Hybrid Mechanistic Data-Driven Modeling for the Deterministic Global Optimization of a Transcritical Organic Rankine Cycle
Erschienen in: Computer aided chemical engineering (2020)
Huster, Wolfgang Raphael
Schweidtmann, Artur M.
Mitsos, Alexander (Corresponding author)
Modelling Circular Structures in Reaction Networks: Petri Nets and Reaction Network Flux Analysis
Erschienen in: Computer aided chemical engineering (2020)
Weber, Jana M.
Schweidtmann, Artur M.
Nolasco, Edouardo
Lapkin, Alexei A. (Corresponding author)
The Potential of Hybrid Mechanistic/Data‐Driven Approaches for Reduced Dynamic Modeling : Application to Distillation Columns
Erschienen in: Chemie - Ingenieur - Technik : CIT (2020)
Schäfer, Pascal
Caspari, Adrian
Schweidtmann, Artur M.
Vaupel, Yannic
Mhamdi, Adel
Mitsos, Alexander (Corresponding author)
Graph Neural Networks for Prediction of Fuel Ignition Quality
Erschienen in: Energy & fuels (2020)
Schweidtmann, Artur M.
Rittig, Jan Gerald
König, Andrea
Grohe, Martin
Mitsos, Alexander
Dahmen, Manuel (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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. (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
Deterministic Global Optimization with Artificial Neural Networks Embedded
Erschienen in: Journal of optimization theory and applications : JOTA (2018)
Schweidtmann, Artur M.
Mitsos, Alexander (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
Jing, Keju
Antonio del Rio-Chanona, Ehecatl (Corresponding author)
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. (Corresponding author)
Lapkin, Alexei (Corresponding author)
Correction to: Efficient multiobjective optimization employing Gaussian processes, spectral sampling and a genetic algorithm
Erschienen in: Journal of global optimization (2018)
Bradford, Eric (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
 

Contribution to a conference proceedings

Titel Author(s)
Hybrid Mechanistic Data-Driven Modeling for the Deterministic Global Optimization of a Transcritical Organic Rankine Cycle
Published in: Computer aided chemical engineering (2020)
Huster, Wolfgang Raphael
Schweidtmann, Artur M.
Mitsos, Alexander (Corresponding author)
Modelling Circular Structures in Reaction Networks: Petri Nets and Reaction Network Flux Analysis
Published in: Computer aided chemical engineering (2020)
Weber, Jana M.
Schweidtmann, Artur M.
Nolasco, Edouardo
Lapkin, Alexei A. (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning
Published in: ACS national meeting. - 256 (2018)
Amar, Yehia (Corresponding author)
Schweidtmann, Artur M.
Deutsch, Paul
Lapkin, Alexei
 

Conference Presentation

Title Author(s)
Graph neural networks for prediction of fuel ignition quality (2020)Schweidtmann, Artur M.
Rittig, Jan Gerald
König, Andrea
Grohe, Martin
Mitsos, Alexander (Corresponding author)
Dahmen, Manuel
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 (Corresponding author)
Maximizing the acquisition function of Bayesian optimization to guaranteed global optimality (2020)Schweidtmann, Artur M.
Bongartz, Dominik
Najman, Jaromil
Mitsos, Alexander (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
MAiNGO - McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization (2019)Mitsos, Alexander (Corresponding author)
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. (Corresponding author)
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 (Corresponding author)
Global Deterministic Surrogate-Based Process Design (2018)Schweidtmann, Artur M.
Huster, Wolfgang Raphael
Mitsos, Alexander (Corresponding author)
Rational solvent selection in asymmetric hydrogenation using molecular descriptors and machine learning (2018)Amar, Yehar
Schweidtmann, Artur M.
Deutsch, Paul
Lapkin, Alexei (Corresponding author)
Artificial Neural Networks Design Layer-by-Layer Nanofiltration Membranes (2018)Rall, Deniz (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
Helmdach, D.
Heer, P.
Schweidtmann, Artur M.
Lapkin, Alexei
FlexASU: Flexibilisierung des Betriebs von Luftzerlegungsanlagen (2017)Mitsos, Alexander (Corresponding author)
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. (Corresponding author)
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 (Corresponding author)
Optimization of Flowsheets via Surrogate Models (2019)Hao, Z.
Schweidtmann, Artur M. (Corresponding author)
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 (Corresponding author)
Deterministic Global Optimization of Bio-Processes Using Artificial Neural Network Surrogate Modeling (2018)Schweidtmann, Artur M.
Graß, Nils
Mitsos, Alexander (Corresponding author)
Feasibility of selectivity improvement in a novel microstructured membrane reactor (2017)Aworinde, Samson M.
Schweidtmann, Artur M.
Lapkin, Alexei (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
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 (Corresponding author)
 

Videos

Title Author(s)
Video Tutorial: Graph Neural Network Tool for Predicting Physico-Chemical Properties of Molecules (2020)Rittig, Jan Gerald
Grohe, Martin
Dahmen, Manuel
Mitsos, Alexander
Schweidtmann, Artur M. (Corresponding author)
The MeLOn toolbox : Machine Learning Models for Optimization (2020)Schweidtmann, Artur M.
Netze, Linus
Bongartz, Dominik
Mitsos, Alexander (Corresponding author)
Hybrid modeling and optimization of processes (2020)Schweidtmann, Artur M.
Graph neural networks for prediction of fuel ignition quality (2020)Schweidtmann, Artur M.
Rittig, Jan Gerald
König, Andrea
Grohe, Martin
Mitsos, Alexander (Corresponding author)
Dahmen, Manuel
Maximizing the acquisition function of Bayesian optimization to guaranteed global optimality : July 8th, 2020 ; Cambridge (2020)Schweidtmann, Artur M.
Grohe, Daniel
Kerkenhoff, Tim
Bongartz, Dominik
Lin, Xiaopeng
Najman, Jaromil
Mitsos, Alexander (Corresponding author)
Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks : 8th - 9th July 2020 ; 3rd International Conference on Machine Learning an AI in (bio)Chemical Engineering (2020)Rittig, Jan Gerald
Schweidtmann, Artur M.
König, Andrea
Dahmen, Manuel
Grohe, Martin
Mitsos, Alexander
Deterministic global nonlinear model predictive control with recurrent neural networks embedded : 21st IFA World Congress, Germany, July 11-17, 2020 (2020)Doncevic, Danimir T.
Schweidtmann, Artur M.
Vaupel, Yannic
Schäfer, Pascal
Caspari, Adrian
Mitsos, Alexander (Corresponding author)
Hybrid Mechanistic Data-Driven Modeling for the Deterministic Global Optimization of a Transcritical Organic Rankine Cycle : ESCAPE 30 : European Symposium on Computer Aided Process Engineering ; 31. Aug. - 2. Sep. 2020, Milan Italy (2020)Huster, Wolfgang Raphael
Schweidtmann, Artur M.
Mitsos, Alexander