[Journal Article]
Langiu, Marco; Shu, David Yang; Baader, Florian Joseph; Hering, Dominik; Bau, Uwe; Xhonneux, André; Müller, Dirk; Bardow, André; Mitsos, Alexander; Dahmen, Manuel
COMANDO: A Next-Generation Open-Source Framework for Energy Systems Optimization
In: Computers & chemical engineering, 152, 107366, 2021
[DOI: 10.1016/j.compchemeng.2021.107366]

[Book, Dissertation / PhD Thesis]
Janssen, Franca Alisa Laura
Modeling and prediction of microgel synthesis : conversion, growth and structure
In: Aachener Verfahrenstechnik series - AVT.SVT - Process systems engineering 15 (2021), 2021

[Journal Article]
Schweidtmann, Artur M.; Weber, Jana M.; Wende, Christian; Netze, Linus; Mitsos, Alexander
Obey validity limits of data-driven models through topological data analysis and one-class classification
In: Optimization and engineering, 22 Seiten, 2021
[DOI: 10.1007/s11081-021-09608-0]

[Multimedia]
Faust, Johannes Michael Magnus; Schulze, Jan Christoph; Caspari, Adrian; Hannemann-Tamás, Ralf; Saß, Susanne; Mhamdi, Adel; Mitsos, Alexander
DyOS: A Software Package for Dynamic Optimization using Direct Shooting
In: [AVT-Research Video] [9], 2021
[DOI: 10.18154/RWTH-2021-04237]

[Journal Article]
Lackmann, Carina; Brendt, Julia; Seiler, Thomas-Benjamin; Hermann, Alina; Metz, Angela; Schäfer, Pascal; Herres-Pawlis, Sonja; Hollert, Henner
The Green toxicology approach : insight towards the eco-toxicologically safe development of benign catalysts
In: Journal of hazardous materials, 125889, 2021
[DOI: 10.1016/j.jhazmat.2021.125889]

[Journal Article]
Caspari, Adrian; Djelassi, Hatim; Mhamdi, Adel; Biegler, Lorenz T.; Mitsos, Alexander
Semi-infinite programming yields optimal disturbance model for offset-free nonlinear model predictive control
In: Journal of process control, 101, 35-51, 2021
[DOI: 10.1016/j.jprocont.2021.03.005]

[Book, Dissertation / PhD Thesis]
König, Andrea
Design of optimal alternative fuels and their production processes
In: Aachener Verfahrenstechnik series - AVT.SVT - Process systems engineering 17, 2021
[DOI: 10.18154/RWTH-2021-02840]

[Book, Dissertation / PhD Thesis]
Masilamani, Kannan
Framework for coupled simulation of electrodialysis processes
In: Simulation techniques in Siegen - STS 4, 2021
[DOI: 10.18154/RWTH-2021-02437]

[Journal Article]
Vaupel, Yannic; Huster, Wolfgang Raphael; Mhamdi, Adel; Mitsos, Alexander
Optimal operating policies for organic Rankine cycles for waste heat recovery under transient conditions
In: Energy : the international journal, 224, 120126, 2021
[DOI: 10.1016/j.energy.2021.120126]

[Dissertation / PhD Thesis]
Jung, Falco Constantin
Model-based synthesis of functional microgels
, 2021
[DOI: 10.18154/RWTH-2021-02166]

[Journal Article]
Djelassi, Hatim; Mitsos, Alexander
Global Solution of Semi-infinite Programs with Existence Constraints
In: Journal of optimization theory and applications, 188 (3), 863–881, 2021
[DOI: 10.1007/s10957-021-01813-2]

[Journal Article]
Pistikopoulos, E. N.; Barbosa-Povoa, Ana; Lee, Jay H.; Misener, Ruth; Mitsos, Alexander; Reklaitis, G. V.; Venkatasubramanian, V.; You, Fengqi; Gani, Rafiqul
Process systems engineering : The generation next?
In: Computers & chemical engineering : CACE, 147, 107252, 2021
[DOI: 10.1016/j.compchemeng.2021.107252]

[Journal Article]
Faust, Johannes Michael Magnus; Hamzehlou, Shaghayegh; Leiza, Jose R.; Asua, José M.; Mhamdi, Adel; Mitsos, Alexander
Closed-loop in-silico control of a two-stage emulsion polymerization to obtain desired particle morphologies
In: The chemical engineering journal, 414, 128808, 2021
[DOI: 10.1016/j.cej.2021.128808]

[Journal Article]
Felton, Kobi C.; Rittig, Jan Gerald; Lapkin, Alexei A.
Summit: Benchmarking Machine Learning Methods for Reaction Optimisation
In: Chemistry methods, 1 (2), 116-122, 2021
[DOI: 10.1002/cmtd.202000051]

[Book, Dissertation / PhD Thesis]
Caspari, Adrian
Optimal flexible operation of dynamic processes
In: Aachener Verfahrenstechnik Series, Process Systems Engineering 14, 2021
[DOI: 10.18154/RWTH-2021-01325]

[Journal Article]
Vaupel, Yannic; Schulze, Jan Christoph; Mhamdi, Adel; Mitsos, Alexander
Nonlinear model predictive control of organic Rankine cycles for automotive waste heat recovery : Is it worth the effort?
In: Journal of process control, 99, 19-27, 2021
[DOI: 10.1016/j.jprocont.2021.01.003]

[Contribution to a book, Contribution to a conference proceedings]
Roh, Kosan; Bardow, André; Bongartz, Dominik; Burre, Jannik; Chung, Wonsuk; Deutz, Sarah; Han, Dongho; Heßelmann, Matthias; Kohlhaas, Yannik; König, Andrea; Lee, Jay H.; Lee, Jeehwan S.; Meys, Raoul; Völker, Simon; Wessling, Matthias; Mitsos, Alexander
Early-stage evaluation procedure for CO2 utilization technologies at low TRLs: A case study for electrochemical production of ethylene
In: [AIChE Annual Meeting, AIChE 2020, 2020-11-16 - 2020-11-19, online], 2021

[Contribution to a book, Contribution to a conference proceedings]
Karacasulu, Kaan; Jungen, Daniel; Djelassi, Hatim; Najman, Jaromil; Bongartz, Dominik; Mitsos, Alexander
Design with Equilibrium Processes Embedded: Global Optimization with Guaranteed Phase Stability
In: [AIChE Annual Meeting, AIChE 2020, 2020-11-16 - 2020-11-19, online], 2021

[Contribution to a book, Contribution to a conference proceedings]
Karacasulu, Kaan; Echtermeyer, Alexander Walter Wilhelm; Kabatnik, Christoph; Scheffczyk, Jan David; Bardow, André; Viell, Jörn; Mitsos, Alexander
Optimal Solvent Selection in Co-Solvent-Based Biomass Conversion Processes
In: [AIChE Annual Meeting, AIChE 2020, 2020-11-16 - 2020-11-19, San Francisco, USA virtuell], 2021

[Journal Article]
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]

[Dataset]
Janssen, Franca Alisa Laura; Mitsos, Alexander
Datenset zur Dissertation "Modellierung und Prädiktion der Mikrogelsynthese: Umsatz, Wachstum undStruktur"
, 2021
[DOI: 10.18154/RWTH-2020-09709]

[Journal Article]
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]

[Contribution to a conference proceedings, Journal Article]
Doncevic, Danimir T.; Schweidtmann, Artur M.; Vaupel, Yannic; Schäfer, Pascal; Caspari, Adrian; Mitsos, Alexander
Deterministic Global Nonlinear Model Predictive Control with Neural Networks Embedded
In: IFAC-PapersOnLine, 53 (2), 5273-5278, 2020
[DOI: 10.1016/j.ifacol.2020.12.1207]

[Contribution to a book, Contribution to a conference proceedings]
Schulze, Jan Christoph; Caspari, Adrian; Schäfer, Pascal; Ecker, Anna M.; Pottmann, Martin; Mhamdi, Adel; Mitsos, Alexander
Nonlinear Model Predictive Control of Air Separation Processes based on Model Reduction
In: [AIChE Annual Meeting 2020, AIChE 2020, 2020-11-16 - 2020-11-20, USA virtuell], 2020

[Journal Article]
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]

[Book, Dissertation / PhD Thesis]
Vaupel, Yannic
Accelerating nonlinear model predictive control through machine learning with application to automotive waste heat recovery
In: Aachener Verfahrenstechnik series - AVT.SVT - Process systems engineering 12 (2020), 2020
[DOI: 10.18154/RWTH-2021-00835]

[Dissertation / PhD Thesis]
Gjerga, Enio
Modelling and analysis of large-scale models of signalling networks
, 2020
[DOI: 10.18154/RWTH-2021-00617]

[Book, Dissertation / PhD Thesis]
Schäfer, Pascal
Model-based approaches to demand side management of continuous industrial processes
In: Aachener Verfahrenstechnik 13 (2020), 2020
[DOI: 10.18154/RWTH-2021-00399]

[Journal Article]
Burre, Jannik; Bongartz, Dominik; Mitsos, Alexander
Corrigendum: "Production of Oxymethylene Dimethyl Ethers from Hydrogen and Carbon Dioxide : Part I: Modeling and Analysis for OME1 & Part II: Modeling and Analysis for OME3–5"
In: Industrial & engineering chemistry research, 59 (49), 21615-21616, 2020
[DOI: 10.1021/acs.iecr.0c05592]

[Book, Dissertation / PhD Thesis]
Kappatou, Chrysoula Dimitra
Dynamic optimization strategies for monoclonal antibody production
In: Aachener Verfahrenstechnik series - AVT.SVT - Process systems engineering 11 (2020), 2020
[DOI: 10.18154/RWTH-2021-00074]

[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
In: AVT-SVT Research Video 8, 2020
[DOI: 10.18154/RWTH-2020-11636]

[Journal Article]
Huster, Wolfgang Raphael; Schweidtmann, Artur M.; Mitsos, Alexander
Globally optimal working fluid mixture composition for geothermal power cycles
In: Energy : the international journal, 212, 118731, 2020
[DOI: 10.1016/j.energy.2020.118731]

[Multimedia]
Schweidtmann, Artur M.; Netze, Linus; Bongartz, Dominik; Mitsos, Alexander
The MeLOn toolbox : Machine Learning Models for Optimization
In: AVT-SVT Research Video 7, 2020
[DOI: 10.18154/RWTH-2020-11295]

[Journal Article]
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]

[Lecture, Multimedia]
Schweidtmann, Artur M.
Hybrid modeling and optimization of processes
In: [AVT research video] [6], 2020
[DOI: 10.18154/RWTH-2020-10827]

[Journal Article]
Echtermeyer, Alexander Walter Wilhelm; Marks, Caroline; Mitsos, Alexander; Viell, Jörn
EXPRESS: Inline Raman Spectroscopy and Indirect Hard Modeling for Concentration Monitoring of Dissociated Acid Species
In: Applied spectroscopy, 2020
[DOI: 10.1177/0003702820973275]

[Conference Presentation, 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: [AVT research video] [5], 2020
[DOI: 10.18154/RWTH-2020-10689]

[Book, Dissertation / PhD Thesis]
Najman, Jaromil
McCormick-based efficient global optimization in the space of degrees of freedom
In: Aachener Verfahrenstechnik series. Process systems engineering 7 (2020), 2020
[DOI: 10.18154/RWTH-2020-10531]

[Contribution to a conference proceedings, Journal Article]
Huster, Wolfgang Raphael; Schweidtmann, Artur M.; Mitsos, Alexander
Hybrid Mechanistic Data-Driven Modeling for the Deterministic Global Optimization of a Transcritical Organic Rankine Cycle
In: Computer aided chemical engineering, 48, 1765-1770, 2020
[DOI: 10.1016/B978-0-12-823377-1.50295-0]

[Contribution to a conference proceedings, Journal Article]
Weber, Jana M.; Schweidtmann, Artur M.; Nolasco, Edouardo; Lapkin, Alexei A.
Modelling Circular Structures in Reaction Networks: Petri Nets and Reaction Network Flux Analysis
In: Computer aided chemical engineering, 48, 1843-1848, 2020
[DOI: 10.1016/B978-0-12-823377-1.50308-6]

[Contribution to a conference proceedings, Journal Article]
Caspari, Adrian; Fahr, Steffen R.; Offermanns, Christian; Mhamdi, Adel; Biegler, Lorenz T.; Mitsos, Alexander
Optimal Start-Up of Air Separation Processes using Dynamic Optimization with Complementarity Constraints
In: Computer aided chemical engineering, 48, 1147-1152, 2020
[DOI: 10.1016/B978-0-12-823377-1.50192-0]

[Contribution to a book, Journal Article]
Schäfer, Pascal; Caspari, Adrian; Schweidtmann, Artur M.; Vaupel, Yannic; Mhamdi, Adel; Mitsos, Alexander
The Potential of Hybrid Mechanistic/Data‐Driven Approaches for Reduced Dynamic Modeling : Application to Distillation Columns
In: Chemie - Ingenieur - Technik : CIT, 92 (12), 1910-1920, 2020
[DOI: 10.1002/cite.202000048]

[Book, Dissertation / PhD Thesis]
Huster, Wolfgang Raphael
Hybrid mechanistic data-driven modeling for the deterministic global optimization of organic rankine cycles
In: Aachener Verfahrenstechnik series - AVT.SVT - Process systems engineering 10 (2020), 2020
[DOI: 10.18154/RWTH-2020-10215]

[Multimedia]
Schweidtmann, Artur M.; Grohe, Daniel; Kerkenhoff, Tim; Bongartz, Dominik; Lin, Xiaopeng; Najman, Jaromil; Mitsos, Alexander
Maximizing the acquisition function of Bayesian optimization to guaranteed global optimality : July 8th, 2020 ; Cambridge
In: AVT-SVT Research Video 4, 2020
[DOI: 10.18154/RWTH-2020-10117]

[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: AVT-SVT Research Video 3, 2020
[DOI: 10.18154/RWTH-2020-10114]

[Multimedia]
Doncevic, Danimir T.; Schweidtmann, Artur M.; Vaupel, Yannic; Schäfer, Pascal; Caspari, Adrian; Mitsos, Alexander
Deterministic global nonlinear model predictive control with recurrent neural networks embedded : 21st IFA World Congress, Germany, July 11-17, 2020
In: AVT-SVT Research Video 2, 2020
[DOI: 10.18154/RWTH-2020-10110]

[Multimedia]
Huster, Wolfgang Raphael; Schweidtmann, Artur M.; Mitsos, Alexander
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
In: AVT-SVT Research Video 1, 2020
[DOI: 10.18154/RWTH-2020-10109]

[Journal Article]
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, 5 (1), 117-126, 2020
[DOI: 10.1039/D0SE01314E]

[Journal Article]
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]

[Journal Article, 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