[Buchbeitrag, Beitrag zu einem Tagungsband]
Kappatou, Chrysoula Dimitra; Altunok, Oktay; Mhamdi, Adel; Mantalaris, Athanasios; Mitsos, Alexander
Sequential and Simultaneous Optimization Strategies for Increased Production of Monoclonal Antibodies
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), 1021-1026, 2019
[DOI: 10.1016/B978-0-12-818634-3.50171-5]

[Buchbeitrag, Beitrag zu einem Tagungsband]
Brée, Luisa Carola; Schiekel, Tobias; Mitsos, Alexander
Overpotentials in Water Electrolysis: In-Silico Comparison of PEM-cell and GAP-cell performance
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), 847-852, 2019
[DOI: 10.1016/B978-0-12-818634-3.50142-9]

[Buchbeitrag, Beitrag zu einem Tagungsband]
Ehsani, Alireza; Kappatou, Chrysoula Dimitra; Mhamdi, Adel; Mitsos, Alexander; Schuppert, Andreas; Niedenfuehr, Sebastian
Towards Model-Based Optimization for Quality by Design in Biotherapeutics Production
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), 25-30, 2019
[DOI: 10.1016/B978-0-12-818634-3.50005-9]

[Buchbeitrag, Fachzeitschriftenartikel]
Burre, Jannik; Bongartz, Dominik; Brée, Luisa Carola; Roh, Kosan; Mitsos, Alexander
Power‐to‐X : Between Electricity Storage, e‐Production, and Demand Side Management
In: Chemie - Ingenieur - Technik : CIT, 92 (1/2), 74-84, 2019
[DOI: 10.1002/cite.201900102]

[Doktorarbeit]
Maldonado-Parra, Francisco Daniel
Microscale modeling of the growth of microgels by precipitation polymerization
, XVIII, 198 Seiten : Illustrationen, Diagramme, 2019

[Buchbeitrag]
Mitsos, Alexander; Schäfer, Pascal; Baitalow, Kristina; Brée, Luisa Carola; Gausmann, Marcel; Jupke, Andreas; Wessling, Matthias
C.6 (Bio)-Chemische Prozese
In: Energieflexibilität in der deutschen Industrie : Ergebnisse aus dem Kopernikus-Projekt : Synchronisierte und energieadaptive Produktionstechnik zur flexiblen Ausrichtung von Industrieprozessen auf eine fluktuierende Energieversorgung (SynErgie), 521-535, 2019

[Buchbeitrag]
Mitsos, Alexander; Schäfer, Pascal; Caspari, Adrian; Ecker, Anna; Frank, Roman; Freko, Pascal; Haider, Patrick; Kender, Robert; King, Rudibert; Klein, Harald; Lange, Andreas; Lochner, Stefan; Mhamdi, Adel; Niehuis, Rheinhard; Obermeier, Andreas; Peschel, Andreas; Rehfeldt, Sebastian; Schliebitz, Florian; Thomas, Ingo; Windmeier, Christoph; Wunderlich, Bernd
C.4 Luftzerlegung
In: Energieflexibilität in der deutschen Industrie : Ergebnisse aus dem Kopernikus-Projekt - Synchronisierte und energieadaptive Produktionstechnik zur flexiblen Ausrichtung von Industrieprozessen auf eine fluktuierende Energieversorgung (SynErgie) / Alexander Sauer, Eberhard Abele, Hans Ulrich Buhl, 487-503, 2019

[Fachzeitschriftenartikel]
Bremen, Andreas Michael; Ploch, Tobias Michael; Mhamdi, Adel; Mitsos, Alexander
A Mechanistic Model of Direct Forsterite Carbonation
In: The chemical engineering journal, 404, 126480, 2020
[DOI: 10.1016/j.cej.2020.126480]

[Fachzeitschriftenartikel]
Schulze, Jan Christoph; Caspari, Adrian; Offermanns, Christoph; Mhamdi, Adel; Mitsos, Alexander
Nonlinear Model Predictive Control of Ultra-High-Purity Air Separation Units using Transient Wave Propagation Model
In: Computers & chemical engineering, 145, 107163, 2020
[DOI: 10.1016/j.compchemeng.2020.107163]

[Beitrag zu einem Tagungsband]
Doncevic, D. T.; Schweidtmann, Artur M.; Vaupel, Yannic; Schäfer, Pascal; Caspari, Adrian; Mitsos, Alexander
Deterministic global nonlinear model predictive control with recurrent neural networks embedded
In: [IFAC World Congress 2020, Ifac 2020, 2020-07-11 - 2020-07-17, Berlin, Germany], in press, 2020

[Konferenzbeitrag]
König, Andrea; Siska, Maximilian; Viell, Jörn; Mitsos, Alexander; Dahmen, Manuel
Model-Based Design of Gasoline/Renewable Fuel Blends by Simultaneous Product- and Process Optimization
In: Fuel Science - From Production to Propulsion Aachen online 2020-06-23 - 2020-06-25, 2020

[Poster]
Ackermann, Philipp; König, Andrea; Dahmen, Manuel; Viell, Jörn; Mitsos, Alexander
Model-Based Fuel Design: Towards Well-to-Wheel Optimization
In: Fuel Science - From Production to Propulsion Aachen online 2020-06-23 - 2020-06-25, 2020

[Konferenzbeitrag]
Schweidtmann, Artur M.; Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Maximizing the acquisition function of Bayesian optimization to guaranteed global optimality
In: 3rd International Conference on Machine Learning and AI in (bio)Chemical Engineering. Cambridge online 2020-07-08 - 2020-07-09, 2020

[Konferenzbeitrag]
Rittig, Jan; Schweidtmann, Artur M.; König, Andrea; Dahmen, Manuel; Grohe, Martin; Mitsos, Alexander
Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks
In: 3rd International Conference on Machine Learning and AI in (bio)Chemical Engineering Cambridge online 2020-07-08 - 2020-07-09, 2020

[Konferenzbeitrag]
Schweidtmann, Artur M.; Mitsos, Alexander
Global optimization with hybrid models embedded
In: Symposium on Artificial Intelligence in Chemical Engineering. Zürich 2020-02-05 - 2020-02-07, 2020

[Konferenzbeitrag]
Rall, Deniz Patrick; Schweidtmann, Artur M.; Aumeier, Benedikt Maximilian; Kamp, Johannes; Mitsos, Alexander; Wessling, Matthias
Simultaneous data-driven development of membranes and processes
In: International Membrane Science & Technology Conference. Sydney 2020-02-02 - 2020-02-06, 2020

[Talk (non-conference)]
Schweidtmann, Artur M.; Bongartz, Dominik; Huster, Wolfgang Raphael; Najman, Jaromil; Rall, Deniz Patrick; Wessling, Matthias; Lapkin, A.; Mitsos, Alexander
Combining machine learning and optimization for optimal design and operation of processes
In: Data analytics community, BASF Ludwigshafen 2020-06-18 -, 2020

[Talk (non-conference)]
Schweidtmann, Artur M.; Mitsos, Alexander
Global optimization with machine-learning models embedded
In: Seminar - Department of Chemical Engineering, Carnegie Mellon University. Pittsburgh 2019-10-24 - 2019-10-24, 2020

[Poster]
Jorayev, P; Russo, D.; Schweidtmann, Artur M.; Deutsch, P.; Lapkin, A.
Multi-objective Bayesian optimisation of a tree-step synthesis of terephthalic acid from crude sulphate turpentine
In: 3rd Machine Learning and AI in (Bio)chemical engineering conference Cambridge online 2020-07-08 - 2020-07-09, 2020

[Poster]
Rittig, Jan; Schweidtmann, Artur M.; König, Andrea; Ackermann, Philipp; Dahmen, Manuel; Grohe, M.; Mitsos, Alexander
Graph Neural Networks for Prediction of Fuel Ignition Quality
In: Fuel Science - From Production to Propulsion Aachen online 2020-06-23 - 2020-06-25, 2020

[Konferenzbeitrag]
Caspari, Adrian; Fahr, Steffen R.; Offermanns, Christoph; Mhamdi, Adel; Biegler, Lorenz; Mitsos, Alexander
Optimal Start-Up of Air Separation Processes using Dynamic Optimization with Complementarity Constraints
In: ESCAPE-30 virtual symposium 2020-08-30 - 2020-09-02, 2020

[Poster]
Echtermeyer, Alexander Walter Wilhelm; Mitsos, Alexander; Viell, Jörn
Huminformation and deposition during acid-catalyzed biomass conversion
In: 10. ProcessNet-Jahrestagung und 34. DECHEMA-Jahrestagung der Biotechnologen 2020 Aachen 2020-09-21 - 2020-09-24, 2020

[Fachzeitschriftenartikel, Poster]
Hofstede, Jordy; Lindmeyer, Martin; Hofmann-Jovic, Gorana; Mitsos, Alexander; Viell, Jörn
Systematic identification of chemical and biotechnological processes for decentral, modular processing of biorefineries
In: Chemie - Ingenieur - Technik, 2020

[Fachzeitschriftenartikel]
Schweidtmann, Artur M.; Rittig, Jan Gerald; König, Andrea; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel
Graph Neural Networks for Prediction of Fuel Ignition Quality
In: Energy & fuels, 34 (9), 11395-11407, 2020
[DOI: 10.1021/acs.energyfuels.0c01533]

[Multimedia]
Rittig, Jan Gerald; Schweidtmann, Artur M.; König, Andrea; Dahmen, Manuel; Grohe, Martin; Mitsos, Alexander
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
In: 3rd International Conference on Machine Learning an AI in (bio)Chemical Engineering online 2020-07-08 - 2020-07-09, Online, 2020

[Konferenzbeitrag, Multimedia]
Schweidtmann, Artur M.; Rittig, Jan Gerald; König, Andrea; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel
Graph neural networks for prediction of fuel ignition quality
In: AIChE Annual Meeting, Applications of Data Science to Molecules and Materials Session online 2020-11-18 - 2020-11-18, 1 Online-Ressource (1 video file), 2020

[Multimedia]
Rittig, Jan Gerald; Grohe, Martin; Dahmen, Manuel; Mitsos, Alexander; Schweidtmann, Artur M.
Video Tutorial: Graph Neural Network Tool for Predicting Physico-Chemical Properties of Molecules
, online, 2020

[Fachzeitschriftenartikel]
Sun, Ruiyan; Asmelash, Chalachew Mebrahtu; Hofmann, Jan Philipp; Bongartz, Dominik; Burre, Jannik; Gierlich, Christian Henning; Hausoul, Peter J. C.; Mitsos, Alexander; Palkovits, Regina
Hydrogen-efficient non-oxidative transformation of methanol into dimethoxymethane over a tailored bifunctional Cu catalyst
In: Sustainable energy & fuels, 2020
[DOI: 10.1039/D0SE01314E]

[Fachzeitschriftenartikel]
Jung, Falco Constantin; Ksiazkiewicz, Agnieszka; Mhamdi, Adel; Pich, Andrij; Mitsos, Alexander
Model-Based Optimization of Microgel Synthesis in the μm Size Range
In: Industrial & engineering chemistry research, 59 (46), 20437–20446, 2020
[DOI: 10.1021/acs.iecr.0c04286]

[Fachzeitschriftenartikel]
Nöth, Maximilian; Gau, Elisabeth; Jung, Falco Constantin; Davari, Mehdi D.; El-Awaad, Islam; Pich, Andrij; Schwaneberg, Ulrich
Biocatalytic microgels (μ-Gelzymes) : synthesis, concepts, and emerging applications
In: Green chemistry : GC, 22 (23), 8183-8209, 2020
[DOI: 10.1039/D0GC03229H]

[Fachzeitschriftenartikel]
König, Andrea; Neidhardt, Lisa; Viell, Jörn; Mitsos, Alexander; Dahmen, Manuel
Integrated design of processes and products: Optimal renewable fuels
In: Computers & chemical engineering, 134, 106712, 2020
[DOI: 10.1016/j.compchemeng.2019.106712]

[Fachzeitschriftenartikel]
Marks, Caroline; König, Andrea; Mitsos, Alexander; Viell, Jörn
Minimal viable sugar yield of biomass pretreatment
In: Biofuels, bioproducts and biorefining, 14 (2), 301-314, 2020
[DOI: 10.1002/bbb.2074]

[Fachzeitschriftenartikel]
Rall, Deniz Patrick; Schweidtmann, Artur M.; Aumeier, Benedikt Maximilian; Kamp, Johannes; Karwe, Jannik; Ostendorf, Katrin; Mitsos, Alexander; Wessling, Matthias
Simultaneous rational design of ion separation membranes and processes
In: Journal of membrane science, 600, 117860, 2020
[DOI: 10.1016/j.memsci.2020.117860]

[Fachzeitschriftenartikel]
dos Santos Schultz, Eduardo; Hannemann-Tamás, Ralf; Mitsos, Alexander
Polynomial approximation of inequality path constraints in dynamic optimization
In: Computers & chemical engineering, 135, 106732, 2020
[DOI: 10.1016/j.compchemeng.2020.106732]

[Fachzeitschriftenartikel]
Saß, Susanne; Faulwasser, Timm; Hollermann, Dinah Elena; Kappatou, Chrysoula Dimitra; Sauer, Dominique; Schütz, Thomas; Shu, David Yang; Bardow, André; Gröll, Lutz; Hagenmeyer, Veit; Müller, Dirk; Mitsos, Alexander
Model compendium, data, and optimization benchmarks for sector-coupled energy systems
In: Computers & chemical engineering, 135, 106760, 2020
[DOI: 10.1016/j.compchemeng.2020.106760]

[Fachzeitschriftenartikel]
Wang, Ganzhou; Mitsos, Alexander; Marquardt, Wolfgang
Renewable Production of Ammonia and Nitric Acid
In: AIChE journal, 6 (6), e16947, 2020
[DOI: 10.1002/aic.16947]

[Fachzeitschriftenartikel]
Roh, Kosan; Chung, Wonsuk; Lee, Hyejin; Park, Seungman; Lee, Jay H.
Impacts of deploying co-electrolysis of CO2 and H2O in the power generation sector: A case study for South Korea
In: Energy reports, 6, 761-770, 2020
[DOI: 10.1016/j.egyr.2020.03.034]

[Fachzeitschriftenartikel]
Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Deterministic global optimization of steam cycles using the IAPWS-IF97 model
In: Optimization and engineering, 21 (3), 1095-1131, 2020
[DOI: 10.1007/s11081-020-09502-1]

[Fachzeitschriftenartikel]
Viell, Jörn; Szekely, Noemi K.; Mangiapia, Gaetano; Hövelmann, Claas; Marks, Caroline; Frielinghaus, Henrich
In operando monitoring of wood transformation during pretreatment with ionic liquids
In: Cellulose, 27 (9), 4889–4907, 2020
[DOI: 10.1007/s10570-020-03119-4]

[Fachzeitschriftenartikel]
Brée, Luisa Carola; Mitsos, Alexander
Two-Tank MultiCompartment Redox Flow Battery
In: Journal of energy storage, 29, 101412, 2020
[DOI: 10.1016/j.est.2020.101412]

[Fachzeitschriftenartikel]
Rall, Deniz Patrick; Schweidtmann, Artur M.; Kruse, Maximilian; Evdochenko, Elizaveta; Mitsos, Alexander; Wessling, Matthias
Multi-scale membrane process optimization with high-fidelity ion transport models through machine learning
In: Journal of membrane science, 608, 118208, 2020
[DOI: 10.1016/j.memsci.2020.118208]

[Fachzeitschriftenartikel]
Brée, Luisa Carola; Wessling, Matthias; Mitsos, Alexander
Modular modeling of electrochemical reactors : Comparison of CO2-electolyzers
In: Computers & chemical engineering, 139, 106890 -, 2020
[DOI: 10.1016/j.compchemeng.2020.106890]

[Fachzeitschriftenartikel]
Caspari, Adrian; Offermanns, Christoph; Ecker, Anna-Maria; Pottmann, Martin; Zapp, Gerhard; Mhamdi, Adel; Mitsos, Alexander
A wave propagation approach for reduced dynamic modeling of distillation columns: Optimization and control
In: Journal of process control, 91, 12-24, 2020
[DOI: 10.1016/j.jprocont.2020.05.004]

[Fachzeitschriftenartikel]
Roh, Kosan; Bardow, André; Bongartz, Dominik; Burre, Jannik; Chung, Wonsuk; Deutz, Sarah; Han, Dongho; Heßelmann, Matthias; Kohlhaas, Yannik; König, Andrea; Lee, Jeehwan S.; Meys, Raoul; Völker, Simon; Wessling, Matthias; Lee, Jay H.; Mitsos, Alexander
Early-stage evaluation of emerging CO2 utilization technologies at low technology readiness levels
In: Green chemistry : GC, 22 (12), 3842-3859, 2020
[DOI: 10.1039/C9GC04440J]

[Fachzeitschriftenartikel]
Caspari, Adrian; Lüken, Lukas; Schäfer, Pascal; Vaupel, Yannic; Mhamdi, Adel; Biegler, Lorenz T.; Mitsos, Alexander
Dynamic Optimization with Complementarity Constraints : Smoothing for Direct Shooting
In: Computers & chemical engineering : CACE, 139, 106891, 2020
[DOI: 10.1016/j.compchemeng.2020.106891]

[Fachzeitschriftenartikel]
Joy, Preet Joseph; Mhamdi, Adel; Mitsos, Alexander
Optimization-based observability analysis
In: Computers & chemical engineering, 140, 106932, 2020
[DOI: 10.1016/j.compchemeng.2020.106932]

[Fachzeitschriftenartikel]
Caspari, Adrian; Tsay, Calvin; Mhamdi, Adel; Baldea, Michael; Mitsos, Alexander
The integration of scheduling and control: Top-down vs. bottom-up
In: Journal of process control, 91, 50-62, 2020
[DOI: 10.1016/j.jprocont.2020.05.008]

[Fachzeitschriftenartikel]
Brée, Luisa Carola; Bulan, Andreas; Herding, Robert; Kuhlmann, Jonas Lukas; Mitsos, Alexander; Perrey, Karen; Roh, Kosan
Techno-Economic Comparison of Flexibility Options in Chlorine Production
In: Industrial & engineering chemistry Research, 59 (26), 12186-12196, 2020
[DOI: 10.1021/acs.iecr.0c01775]

[Buch, Doktorarbeit]
Bongartz, Dominik
Deterministic global flowsheet optimization for the design of energy conversion processes
, 1 Online-Ressource (XIV, 196 Seiten) : Illustrationen, Diagramme, 2020

[Fachzeitschriftenartikel]
Huster, Wolfgang Raphael; Schweidtmann, Artur M.; Lüthje, Jannik T.; Mitsos, Alexander
Deterministic global superstructure-based optimization of an organic Rankine cycle
In: Computers & chemical engineering, 141, 106996, 2020
[DOI: 10.1016/j.compchemeng.2020.106996]