[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]

[Journal Article]
Djelassi, Hatim; Mitsos, Alexander
Global Solution of Semi-infinite Programs with Existence Constraints
In: Journal of optimization theory and applications, 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]

[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

[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 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]

[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]

[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

[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
, online, 2020

[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: Course "Modeling with neural networks" Trondheim 2020-11-23 - 2020-11-23, 1 Online-Ressource (1 video file), 2020

[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: 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

[Book, Dissertation / PhD Thesis]
Najman, Jaromil
McCormick-based efficient global optimization in the space of degrees of freedom
, 1 Online-Ressource (XIV, 174 Seiten) : Illustrationen, Diagramme, 2020

[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
, 1 Online-Ressource (XX, 200 Seiten) : Illustrationen, Diagramme, 2020

[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: 3rd International Conference on Machine Learning an AI in (bio)Chemical Engineering online 2020-07-08 - 2020-07-08, Online, 2020

[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

[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: 21st IFAC World Congress 2020 online 2020-07-11 - 2020-07-17, Online, 2020

[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: European Symposium on Computer Aided Process Engineering online 2020-08-31 - 2020-09-02, online, 2020

[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, 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

[Abstract, Contribution to a conference proceedings, Journal Article]
Hofstede, Jordy; Lindmeyer, Martin; Mitsos, Alexander; Viell, Jörn
A method for systematic identification of chemical and biotechnological processes for decentral, modular processing
In: Chemie - Ingenieur - Technik : CIT, 92 (9), P5.82, 2020
[DOI: 10.1002/cite.202055287]

[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

[Contribution to a conference proceedings]
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, 10. ProcessNet, 2020-09-21 - 2020-09-24, Aachen, Germany], 2020
[DOI: 10.1002/cite.202055131]

[Book, Dissertation / PhD Thesis]
Brée, Luisa Carola
Model-based optimization of electrochemical systems for the use of electricity from renewable energy sources
, 1 Online-Ressource (XVI, 178 Seiten) : Illustrationen, Diagramme, 2020

[Book, Dissertation / PhD Thesis]
Djelassi, Hatim
Discretization-based algorithms for the global solution of hierarchical programs
, 1 Online-Ressource (XV, 146 Seiten) : Illustrationen, Diagramme, 2020

[Journal Article]
Zhao, Xiao; Ploch, Tobias Michael; Noack, Stephan; Wiechert, Wolfgang; Mitsos, Alexander; von Lieres, Eric
Analysis of the local well‐posedness of optimization‐constrained differential equations by local optimality conditions
In: AIChE journal, 66 (10), e16548, 2020
[DOI: 10.1002/aic.16548]

[Journal Article]
Cumpston, Jeff; Herding, Robert; Lechtenberg, Fabian; Offermanns, Christoph; Thebelt, Alexander; Roh, Kosan
Design of 24/7 continuous hydrogen production system employing the solar-powered thermochemical S-I cycle
In: International journal of hydrogen energy, 45 (46), 24383-24396, 2020
[DOI: 10.1016/j.ijhydene.2020.05.185]

[Conference Presentation]
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

[Journal Article]
Schäfer, Pascal; Daun, Torben M.; Mitsos, Alexander
Do investments in flexibility enhance sustainability? : A simulative study considering the German electricity sector
In: AIChE journal, 66 (11), e17010, 2020
[DOI: 10.1002/aic.17010]

[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

[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

[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

[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

[Conference Presentation]
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

[Conference Presentation]
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