Fachzeitschriftenartikel
| Titel | Autor(en) |
|---|---|
| Physical pooling functions in graph neural networks for molecular property prediction Erschienen in: Computers & chemical engineering (2023) | Schweidtmann, Artur M. Rittig, Jan Gerald Weber, Jana M. Grohe, Martin Dahmen, Manuel Leonhard, Kai Mitsos, Alexander (Corresponding author) |
| Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids Erschienen in: Computers & chemical engineering (2023) | Rittig, Jan Gerald Ben Hicham, Karim Schweidtmann, Artur M. Dahmen, Manuel Mitsos, Alexander (Corresponding author) |
| Molecular design of fuels for maximum spark-ignition engine efficiency by combining predictive thermodynamics and machine learning Erschienen in: Energy & fuels (2023) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehn, Florian Alexander Schweidtmann, Artur M. Pitsch, Heinz Leonhard, Kai Mitsos, Alexander Bardow, André (Corresponding author) Dahmen, Manuel (Corresponding author) |
| Geometry optimization of a continuous millireactor via CFD and Bayesian optimization Erschienen in: Computers & chemical engineering (2023) | Begall, Moritz Johannes Schweidtmann, Artur M. Mhamdi, Adel Mitsos, Alexander (Corresponding author) |
| Graph machine learning for design of high-octane fuels Erschienen in: AIChE journal (2022) | Rittig, Jan Gerald Ritzert, Martin Schweidtmann, Artur M. Winkler, Stefanie Weber, Jana M. Morsch, Philipp Heufer, Karl Alexander Grohe, Martin Mitsos, Alexander Dahmen, Manuel (Corresponding author) |
| Flowsheet Recognition using Deep Convolutional Neural Networks Erschienen in: Computer Aided Chemical Engineering (2022) | Balhorn, Lukas Schulze Gao, Qinghe Goldstein, Dominik Schweidtmann, Artur M. (Corresponding author) |
| HybridML : Open source platform for hybrid modeling Erschienen in: Computers & chemical engineering (2022) | Merkelbach, Kilian Schweidtmann, Artur M. Müller, Younes Schwoebel, Patrick Mhamdi, Adel (Corresponding author) Mitsos, Alexander Schuppert, Andreas Mrziglod, Thomas Schneckener, Sebastian |
| Obey validity limits of data-driven models through topological data analysis and one-class classification Erschienen in: Optimization and engineering (2021) | Schweidtmann, Artur M. (Corresponding author) Weber, Jana M. Wende, Christian Netze, Linus Mitsos, Alexander |
| Machine Learning in Chemical Engineering : A Perspective Erschienen in: Chemie - Ingenieur - Technik (2021) | Schweidtmann, Artur M. (Corresponding author) Esche, Erik Fischer, Asja Kloft, Marius Repke, Jens-Uwe Sager, Sebastian Mitsos, Alexander |
| Insight to Gene Expression From Promoter Libraries With the Machine Learning Workflow Exp2Ipynb Erschienen in: Frontiers in bioinformatics (2021) | Liebal, Ulf Winfried (Corresponding author) Köbbing, Sebastian Netze, Linus Schweidtmann, Artur M. Mitsos, Alexander Blank, Lars M. |
| Efficient hybrid multiobjective optimization of pressure swing adsorption Erschienen in: The chemical engineering journal (2021) | Hao, Zhimian Caspari, Adrian Schweidtmann, Artur M. Vaupel, Yannic Lapkin, Alexei A. (Corresponding author) Mhamdi, Adel (Corresponding author) |
| Designing production-optimal alternative fuels for conventional, flexible-fuel, and ultra-high efficiency engines Erschienen in: Chemical engineering science = Génie chimique (2021) | König, Andrea Siska, Maximilian Schweidtmann, Artur M. Rittig, Jan Gerald Viell, Jörn Mitsos, Alexander Dahmen, Manuel (Corresponding author) |
| Deterministic global optimization with Gaussian processes embedded Erschienen in: Mathematical programming computation : MPC (2021) | Schweidtmann, Artur M. Bongartz, Dominik Grothe, Daniel Kerkenhoff, Tim Lin, Xiaopeng Najman, Jaromil Mitsos, Alexander (Corresponding author) |
| Deterministic Global Nonlinear Model Predictive Control with Neural Networks Embedded Erschienen in: IFAC-PapersOnLine (2020) | Doncevic, Danimir T. Schweidtmann, Artur M. Vaupel, Yannic Schäfer, Pascal Caspari, Adrian Mitsos, Alexander (Corresponding author) |
| 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) |
| 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 Torben 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 Torben 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 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) |
Beitrag zu einem Tagungsband
| Titel | Autor(en) |
|---|---|
| Flowsheet Recognition using Deep Convolutional Neural Networks Erschienen in: Computer Aided Chemical Engineering (2022) | Balhorn, Lukas Schulze Gao, Qinghe Goldstein, Dominik Schweidtmann, Artur M. (Corresponding author) |
| Deterministic Global Nonlinear Model Predictive Control with Neural Networks Embedded Erschienen in: IFAC-PapersOnLine (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 Erschienen in: 30th European Symposium on Computer Aided Process Engineering / edited by Sauro Pierucci, Flavio Manenti, Giulia Luisa Bozzano, Davide Manca (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: 30th European Symposium on Computer Aided Process Engineering / edited by Sauro Pierucci, Flavio Manenti, Giulia Luisa Bozzano, Davide Manca (2020) | Weber, Jana M. Schweidtmann, Artur M. Nolasco, Edouardo Lapkin, Alexei A. (Corresponding author) |
| Deterministic Global Process Optimization : Flash Calculations via Artificial Neural Networks Erschienen 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 Erschienen 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 Erschienen 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 Erschienen in: ACS national meeting. - 256 (2018) | Amar, Yehia (Corresponding author) Schweidtmann, Artur M. Deutsch, Paul Lapkin, Alexei |
Konferenzbeiträge
| Titel | Autor(en) |
|---|---|
| Molecular design of spark-ignition fuels by combining predictive thermodynamics and machine learning (2022) | Ackermann, Philipp Fleitmann, Lorenz Heinrich Johannes Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehm, Florian Schweidtmann, Artur M. Pitsch, Heinz Leonard, Kai Mitsos, Alexander Bardow, André Dahmen, Manuel |
| Molecular Design of Spark-Ignition Engine Fuels for Maximal Engine Efficiency (2022) | Ackermann, Philipp Fleitmann, Lorenz Heinrich Johannes Schilling, Johannes Kleinekorte, Johanna Rittig, Jan Gerald vom Lehm, Florian Schweidtmann, Artur Pitsch, Heinz Leonard, Kai Mitsos, Alexander Bardow, André Dahmen, Manuel |
| Computer-Aided Design of Molecules with High Octane Rating and Octane Sensitivity through Graph-Based Machine Learning (2021) | Rittig, Jan Gerald Ritzert, Martin Schweidtmann, Artur M. Winkler, Stefanie Grohe, Martin Mitsos, Alexander Dahmen, Manuel |
| 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 Gerald 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 Patrick (Corresponding author) Menne, Daniel Schweidtmann, Artur M. Kamp, Johannes 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 |
Vorträge
| Titel | Autor(en) |
|---|---|
| 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
| Titel | Autor(en) |
|---|---|
| Fuel design by combined machine learning and predictive thermodynamics (2021) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Mitsos, Alexander Bardow, André Leonhard, Kai |
| Fuel design by combined machine learning and predictive thermodynamics (2021) | Fleitmann, Lorenz Heinrich Johannes Ackermann, Philipp Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Dahmen, Manuel Mitsos, Alexander Bardow, André Leonhard, Kai |
| Graph Neural Networks for Prediction of Fuel Ignition Quality (2020) | Rittig, Jan Gerald Schweidtmann, Artur M. König, Andrea Ackermann, Philipp Dahmen, Manuel Grohe, Martin 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) |