Publications of the Max Planck Institute

Journal Article

Heiland, J.; Yongho, K.: Polytopic Autoencoders with Smooth Clustering for Reduced-order Modelling of Flows. Journal of Computational Physics 521 (Part 1), 113526 (2025)

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Journal Article

Keßler, T.; Plate, C.; Behrens, J.; Martensen , C. J.; Leipold, J.; Kaps, L.; Seidel-Morgenstern, A.; Sager, S.; Kienle, A.: Two degrees of freedom control of a multistage power-to-methanol reactor. Computers and Chemical Engineering 192, 108893 (2025)

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König-Mattern, L.; Rihko-Struckmann, L.; Sundmacher, K.: Systematic solvent selection enables the fractionation of wet microalgal biomass. Separation and Purification Technology 354 (Part 8), 129462 (2025)

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Peterson, L.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Digital Twins in Process Engineering: An Overview on Computational and Numerical Methods. Computers and Chemical Engineering 193, 108917 (2025)

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Qin, H.; Wang, Z.; Ruan, J.; Wei, F.; Yuan, Z.; Jiao, W.; Qi, G.; Liu, Y.: Integrating machine learning model and computer-aided molecular design toward rational ionic liquid selection for separating fluorinated refrigerants. Separation and Purification Technology 356 (Part A), 129796 (2025)

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Sethi, S.; Zhang, X.; Sundmacher, K.: Process-driven solvent screening for efficient extractive distillation using interpolative rational functions. Chemical Engineering Science 301, 120675 (2025)

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2024

Journal Article

Agarwal, T.; Joshi, M.; Ritu; Stein, M.; Kaur-Ghumaan, S.: Design of Rigidified μ-(9-Fluorenethiolate) {FeFe} Hydrogen Evolving Catalysts. Organometallics (2024)

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Journal Article

Al-Shaibani, M. A. S.; Sakoleva, T.; Živković, L. A.; Austin, H. P.; Dörr, M.; Hilfert, L.; Haak, E.; Bornscheuer, U. T.; Vidaković-Koch, T.: Product Distribution of Steady–State and Pulsed Electrochemical Regeneration of 1,4‐NADH and Integration with Enzymatic Reaction. ChemistryOpen 13 (8), e202400064 (2024)

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Journal Article

Arigoni-Affolter, I.; Losfeld, M.-E.; Hennig, R.; Rapp, E.; Aebi, M.: A hierarchical structure in the N-glycosylation process governs the N-glycosylation output: prolonged cultivation induces glycoenzymes expression variations that are reflected in the cellular N-glycome but not in the protein and site-specific glycoprofile of CHO cells. Glycobiology 34 (8), cwae045 (2024)

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Journal Article

Aumann, Q.; Werner, S. W. R.: Adaptive Choice of Near-Optimal Expansion Points for Interpolation-Based Structure-Preserving Model Reduction. Advances in Computational Mathematics 50 (4), 79 (2024)

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Journal Article

Bauer, J.; Klamt, S.: OptMSP: A Toolbox for Designing Optimal Multi-Stage (Bio)Processes. Journal of Biotechnology 383, pp. 94 - 102 (2024)

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Journal Article

Bauer, S.; Benner, P.; Bereau, T.; Blum, V.; Boley, M.; Carbogno, C.; A. Catlow, C. R.; Dehm, G.; Eibl, S.; Ernstorfer, R. et al.; Fekete, Á.; Foppa, L.; Fratzl, P.; Freysoldt, C.; Gault, B.; M. Ghiringhelli, L.; Sajal, K. G.; Gladyshev, A.; Goyal, P. K.; Hattrick-Simpers, J.; Kabalan, L.; Karpov, P.; S. Khorrami, M.; Koch, C.; Kokott, S.; Kosch, T.; Kowalec, I.; Kremer, K.; Leitherer, A.; Li, Y.; Liebscher, C. H.; Logsdail, A. J.; Lu, Z.; Luong, F.; Marek, A.; Merz, F.; R. Mianroodi, J.; Neugebauer, J.; Purcell, T. A. R.; Raabe, D.; Rampp, M.; Rossi, M.; Rost, J.-M.; Saalmann, U.; Saxena, A.; Sbailo, L.; Scheffler, M.; Scheidgen, M.; Schloz, M.; Schmidt, D. F.; Teshuva, S.; Trunschke, A.; Wei, Y.; Weikum, G.; Xian, R. P.; Yao, Y.; Zhao, M.: Roadmap on Data-Centric Materials Science. Modelling and Simulation in Materials Science and Engineering 32, 063301,90 pages (2024)

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Journal Article

Behrendt, G.; Vlachonikolou, M.; Tietgens, H.; Bettenbrock, K.: Construction and comparison of different vehicles for heterologous gene expression in Zymomonas mobilis. Microbial Biotechnology 17 (1), e14381 (2024)

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Journal Article

Behrens, J.; Tiedemann, S.; Kunde, T.; von Langermann, J.; Kienle, A.: Moving Horizon Parameter Estimation for an Enzyme-Catalyzed Transamination Reaction with Integrated Product Removal. Chemie-Ingenieur-Technik 96 (12), pp. 1751 - 1766 (2024)

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Journal Article

Benner, P.; Chuiko, S.; Nesmelova, O.V.: Adomian decomposition method in the theory of nonlinear boundary-value problems unsolved with respect to the derivative. Nonlinear Oscillations (accepted)

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Journal Article

Benner, P.; Chuiko, S.; Nesmelova, O.: Autonomous Periodic Boundary Value Problems with Switchings at Non-Fixed Points in Time. Nonlinear Oscillations (accepted)

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Journal Article

Benner, P.; Chuiko, S.; Zuyev, A.: Iterative Schemes for Periodic Boundary Value Problems with Switchings. Journal of Mathematical Sciences 278 (6), pp. 932 - 949 (2024)

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Journal Article

Benner, P.; Goyal, P. K.: Balanced Truncation Model Order Reduction For Quadratic-Bilinear Control Systems. Advances in Computational Mathematics 50, 88 (2024)

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Journal Article

Benner, P.; Goyal, P. K.; Pontes Duff, I.: Identification of Dominant Subspaces for Linear Structured Parametric Systems and Model Reduction. International Journal for Numerical Methods in Engineering 125 (15), e7496 (2024)

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Benner, P.; Goyal, P. K.; Van Dooren, P.: Parameterized Interpolation of Passive Systems. SIAM Journal on Matrix Analysis and Applications 45 (2), pp. 1035 - 1053 (2024)

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Benner, P.; Gugercin, S.; Werner, S. W. R.: Structured Interpolation for Multivariate Transfer Functions of Quadratic-Bilinear Systems. Advances in Computational Mathematics 50, 18 (2024)

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Journal Article

Benner, P.; Heiland, J.; Kumar, V.: Exponential Synchronization of BAM Neural Networks with Delay on Arbitrary Time Domains. Neural Computing and Applications (accepted)

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Journal Article

Benner, P.; Richter, T.; Weinhandl, R.: A Low-rank Method for Parameter-dependent Fluid-structure Interaction Discretizations with Hyperelasticity. Zeitschrift für angewandte Mathematik und Mechanik 104 (10), e202300562 (2024)

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Journal Article

Bhandari, S.; Lorenz, H.; Seidel-Morgenstern, A.: Shortcut model to evaluate the performance of continuous preferential crystallization for conglomerates forming chiral systems. Chemical Engineering Science 299, 120539 (2024)

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Journal Article

Bhaskaran, S.; Miličić, T.; Vidaković-Koch, T.; Kumar Surasani , V.; Tsotsas, E.; Vorhauer-Huget, N.: Model PEM water electrolyzer cell for studies of periodically alternating drainage/imbibition cycles. International Journal of Hydrogen Energy 77, pp. 1432 - 1442 (2024)

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Journal Article

Boichuk, O.; Chuiko, S.; Diachenko, D.: Adomian’s Decomposition Method in the Theory of Nonlinear Autonomous Boundary-Value Problems. Ukrainian Mathematical Journal 75, pp. 1203 - 1218 (2024)

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Journal Article

Böttinger, K.; Regl, C.; Schäpertöns, V.; Rapp, E.; Wohlschlager, T.; Huber, C. G.: “Small is beautiful” – examining reliable determination of low- abundant therapeutic antibody glycovariants. Journal of Pharmaceutical Analysis 14 (10), 100982 (2024)

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Journal Article

Chellappa, S.; Feng, L.; Benner, P.: Accurate Error Estimation for Model Reduction of Nonlinear Dynamical Systems via Data-enhanced Error Closure. Computer Methods in Applied Mechanics and Engineering 420, 116712 (2024)

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Journal Article

Chernev, V. P.; Kienle, A.; Vande Wouver, A.: Moving horizon estimation and control of a binary simulated moving bed chromatographic processes with Langmuir isotherms. Computers and Chemical Engineering 189, 108804 (2024)

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Journal Article

Chuiko, S.; Chuiko, O.; Diachenko, D.: On Approximate Solutions of a Nonlinear Periodic Boundary-Value Problem with Switching in the Case of Parametric Resonance by the Newton–Kantorovich Method. Journal of Mathematical Sciences 279, pp. 438 - 453 (2024)

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Journal Article

Chuiko, S.; Nesmelova, O. V.: On the Reduction of an Autonomous Nonlinear Boundary Value Problem Unsolved with Respect to the Derivative to the First-Order Critical Case. Journal of Mathematical Sciences 279, pp. 1 - 24 (2024)

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Journal Article

Coux, O.; Farràs, R.; Abbas, M.; Barrio, R.; Blattner, C.; Brix, K.; Chachami, G.; Chevet, E.; Clague, M. J.; Dantuma, N. et al.; Rankov, A. D.; Galdeano, C.; Giglione, C.; Glickman, M. H.; Lalmanach, G.; Lindon, C.; Matthiesen, R.; Meroni, G.; Pick, E.; Poidevin, L.; Rivas, C.; Rodriguez, M. S.; Sammler, E.; Shiber, A.; Skoulakis, E. M.C.; Stein, M.; Vertegaal, A. C.O.: ProteoCure: A European network to fine-tune the proteome. Biochimie 226, pp. 4 - 9 (2024)

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Journal Article

Espinel-Rios, S.; Behrendt, G.; Bauer, J.; Morabito, B.; Pohlodek, J.; Schütze, A.; Findeisen, R.; Bettenbrock, K.; Klamt, S.: Experimentally implemented dynamic optogenetic optimization of ATPase expression using knowledge-based and Gaussian-process-supported models. Process Biochemistry (143), pp. 174 - 185 (2024)

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Journal Article

Espinel-Rios, S.; Morabito, B.; Pohlodek, J.; Bettenbrock, K.; Klamt, S.; Findeisen, R.: Toward a modeling, optimization, and predictive control framework for fed-batch metabolic cybergenetics. Biotechnology and Bioengineering 121 (1), pp. 366 - 379 (2024)

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Journal Article

Feng, L.; Chellappa, S.; Benner, P.: A Posteriori Error Estimation for Model Order Reduction of Parametric Systems. Advanced Modeling and Simulation in Engineering Sciences 11, 5 (2024)

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Journal Article

Frohwitter, J.; Behrendt, G.; Klamt, S.; Bettenbrock, K.: A new Zymomonas mobilis platform strain for the efficient production of chemicals. Microbial Cell Factories 23, 143 (2024)

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Journal Article

Gänsch, J.; Oliynyk, K.; Potharaju, S.; Seidel-Morgenstern, A.; Lorenz, H.: Continuous Chiral Inversion by Coupling Enzymatic Racemization with Enantioselective Fluidized Bed Crystallization. Industrial & Engineering Chemistry Research 63, pp. 18525 - 18535 (2024)

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Journal Article

Gkimisis, L.; Richter, T.; Benner, P.: Adjacency-based, Non-Intrusive Model Reduction for Vortex-Induced Vibrations. Computers & Fluids 275, 106248 (2024)

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Journal Article

Göbel, S.; Kazemi, O.; Ma, J.; Jordan, I.; Sandig, V.; Paulissen, J.; Kerstens, W.; Thibaut, H. J.; Reichl, U.; Dallmeier, K. et al.; Genzel, Y.: Parallel Multifactorial Process Optimization and Intensification for High-Yield Production of Live YF17D-Vectored Zika Vaccine. Vaccines 12 (7), 755 (2024)

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Journal Article

Göbel, S.; Pelz, L.; Silva, C. A. T.; Brühlmann, B.; Hill, C.; Altomonte, J.; Kamen, A.; Reichl, U.; Genzel, Y.: Production of recombinant vesicular stomatitis virus-based vectors by tangential flow depth filtration. Applied Microbiology and Biotechnology 108 (1), 240 (2024)

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Journal Article

Gosea, I. V.; Gugercin, S.; Werner, S. W. R.: Structured Barycentric Forms for Interpolation-Based Data-Driven Reduced Modeling of Second-Order Systems. Advances in Computational Mathematics 50, 26 (2024)

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Journal Article

Goyal, P. K.; Benner, P.: Generalized Quadratic-Embeddings for Nonlinear Dynamics using Deep Learning. Physica D: Nonlinear Phenomena 463, 134158 (2024)

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Journal Article

Goyal, P. K.; Peherstorfer, B.; Benner, P.: Rank-Minimizing and Structured Model Inference. SIAM Journal on Scientific Computing 46 (3), pp. A1879 - A1902 (2024)

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Journal Article

Goyal, P. K.; Pontes Duff, I.; Benner, P.: Dominant Subspaces of High-Fidelity Polynomial Structured Parametric Dynamical Systems and Model Reduction. Advances in Computational Mathematics 50, 42 (2024)

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Journal Article

Grundel, S.; Sarna, N.: Hyper-Reduction for Parametrized Transport Dominated Problems via Adaptive Reduced Meshes. Partial Differential Equations and Applications 5 (1), 3 (2024)

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Journal Article

Grushkovska, V.; Zuyev, A.: Design of Stabilizing Feedback Controllers for High-Order Nonholonomic Systems. IEEE Control Systems Letters 8, pp. 988 - 993 (2024)

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Journal Article

Güner, E.; Özkan, Ö.; Yalçin-Özkat, G.; Ölgen, S.: Determination of Novel SARS-CoV-2 Inhibitors by Combination of Deep Learning, In silico Analysis and Similarity Search. Medicinal Chemistry 20 (2), pp. 153 - 231 (2024)

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Journal Article

Guzman Ruiz, L.; Zollner, A. M.; Hoxie, I.; Küchler, J.; Hausjell, C.; Mesurado, T.; Krammer, F.; Jungbauer, A.; Pereira Aguilar, P.; Klausberger, M. et al.; Grabherr, R.: Enhancing NA immunogenicity through novel VLP designs. Vaccine 42 (24), 126270 (2024)

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Journal Article

Hellwig, P.; Dittrich, A.; Heyer, R.; Reichl, U.; Benndorf, D.: Detection, isolation and characterization of phage-host complexes using BONCAT and click chemistry. Frontiers in Microbiology 15, 1434301 (2024)

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