Publications of the Max Planck Institute

Journal Article

Carlucci, A.; Gosea, I. V.; Grivet-Talocia, S.: Data-Driven Modeling of Weakly Nonlinear Circuits via Generalized Transfer Function Approximation. IEEE Access 13, pp. 2746 - 2762 (2025)

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Journal Article

Carson, E.; Lund, K.; Ma, Y.; Oktay, E.: Reorthogonalized Pythagorean variants of block classical Gram-Schmidt. SIAM journal on Matrix Analysis and Applications 46 (1), pp. 310 - 340 (2025)

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Journal Article

Chuiko, S.; Chuiko, O.; Diachenko, D.: Autonomous Boundary-Value Problem Unsolved with Respect to the Derivative. Journal of Mathematical Sciences (United States) (2025)

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Journal Article

Dam, A. P.; Franz, T.; Papakonstantinou, G.; Sundmacher, K.: Catalyst Dissolution in Pem Water Electrolysis: Influence of Time, Current Density and Iridium Ion Transport in Single-Pass and Recirculation Water Flow Modes. Applied Catalysis B: Environment and Energy 365, 124946 (2025)

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Journal Article

Duch, K.; Kozachynskyi, V.; Rätze, K. H. G.; Illner, M.; Sundmacher, K.; Repke, J.-U.: Enhancing Reactive Microemulsion Processes: Dynamic Optimization and Cyclic Semibatch Operation for the Reductive Amination of Undecanal in a Mini-Plant. Industrial & Engineering Chemistry Research 64, pp. 520 - 534 (2025)

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Journal Article

Elmaci, D. N.; Hopping, G.; Hoffmann, W.; Muttenthaler, M.; Stein, M.: The structural integrity of human TFF1 under reducing conditions. Redox Biology 81, 103534 (2025)

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Journal Article

Fernandes, R. P.; Göbel, S.; Reiter, M.; Bryan, A.; Altomonte, J.; Genzel, Y.; Peixoto, C.: Streamlining the purification of a clinical-grade oncolytic virus for therapeutic applications. Separation and Purification Technology 354, 128769 (2025)

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Journal Article

Forootani, A.; Goyal, P. K.; Benner, P.: A Robust Sparse Identification of Nonlinear Dynamics Approach by Combining Neural Networks and an Integral Form. Engineering Applications of Artificial Intelligence 149, 110360 (2025)

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Journal Article

Gänsch, J.; Gamm, I.; Seidel-Morgenstern, A.; Lorenz, H.: Applicability of Fluidized Bed Crystallization for Separation of Enantiomers Forming Needle-Shaped Crystals. Organic Process Research & Development 29 (2), pp. 430 - 439 (2025)

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Journal Article

Goldhahn, R.; Minor, A.-J.; Rihko-Struckmann, L.; Ohl , S.-W.; Pfeiffer, P.; Ohl, C.-D.; Sundmacher, K.: Recycling of Bulk Polyamide 6 by Dissolution- Precipitation in CaCl2-EtOH-H2O Mixtures. Recycling 10 (1), 5 (2025)

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Journal Article

Goyal, P. K.; Yildiz, S.; Benner, P.: Deep Learning for Structure-Preserving Universal Stable Koopman-Inspired Embeddings for Nonlinear Canonical Hamiltonian Dynamics. Machine Learning: Science and Technology 6 (1), 015063 (2025)

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Journal Article

Gutierrez, M.; Vhora, K.; Ghaffari, S.; Janiga, G.; Seidel-Morgenstern, A.; Lorenz, H.; Schulze, P.: Experimental study and modeling of a droplet CO2 absorber for the carbon-negative soda ash production. Chemical Engineering Science 305, 121133 (2025)

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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

Ilter, M.; Escorcia Cabrera, A.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Activation and Reactivity of the Deubiquitinylase OTU Cezanne-2 from MD Simulations and QM/MM Calculations. Journal of Chemical Information and Modeling 65 (2), pp. 921 - 936 (2025)

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Journal Article

Karachalios, D.; Gosea, I. V.; Gkimisis, L.; Antoulas, A. C.: Data-Driven Quadratic Modeling in the Loewner Framework from Input-Output Time-Domain Measurements. SIAM Journal on Applied Dynamical Systems 24 (1), pp. 457 - 500 (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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Journal Article

Komarova, A. O.; Warne, C. M.; Pétremand, H.; König-Mattern, L.; Stöckelmaier, J.; Oostenbrink, C.; Guebitz, G. M.; Luterbacher, J.; Pellis, A.: Xylose Acetals ‐ a New Class of Sustainable Solvents and Their Application in Enzymatic Polycondensation. ChemSusChem 18 (6), e202401877 (2025)

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Journal Article

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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Journal Article

Kumar, V.; Heiland, J.; Benner, P.: Exponential Synchronization of bi-directional associative memory Neural Networks with Delay on Arbitrary Time Domains. Neural Computing and Applications 37, pp. 6383 - 6400 (2025)

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Journal Article

Kweyu, C. M.; Khoromskaia, V.; Khoromskij, B.; Stein, M.; Benner, P.: Solution Decomposition for the Nonlinear Poisson-Boltzmann Equation using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing 47 (1), pp. B87 - B107 (2025)

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Journal Article

Marek, W. K.; Lee, J. W.; Seidel-Morgenstern, A.; Antos, D.: Separation of nonracemic mixtures of enantiomers by achiral simulated moving bed chromatography. Separation and Purification Technology 361, 131497 (2025)

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Journal Article

Matsuda, T.; Hoang, N.-H.: Medium engineering of lipase‐catalyzed reaction usingCO2. Journal of the American Oil Chemists' Society 102 (2), pp. 401 - 412 (2025)

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Journal Article

Moqvist, S.; Chen, W.; Schreiner, M.; Nüske, F.; Olsson, S.: Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics. Journal of Chemical Theory and Computation 21 (5), pp. 2535 - 2545 (2025)

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Journal Article

Otta, J.; Mikuláštík, J.; Šípka, R.; Stein, M.; Kühne, I. A.; Vrňata, M.; Vlček, J.: Fullerene-Doped Poly(ionic liquids) as Small Molecular Gas Sensors─Control of Intermolecular Interactions. ACS Omega 10 (1), pp. 1364 - 1372 (2025)

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Journal Article

Palitta, D.; Tomljanović, Z.; Nakić, I.; Saak, J.: Efficient Solution of Sequences of Parametrized Lyapunov Equations with Applications. Numerical Linear Algebra with Applications 32 (1), e2604 (2025)

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Journal Article

Panjikkaran, I. W.; Nentwich, C.; Franke, R.; Seidel-Morgenstern, A.: Model-based approach for specifying requirements on membranes to be applicable in membrane reactors of the extractor type. Chemical Engineering Journal 507, 158960 (2025)

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Journal Article

Peitz, S.; Harder, H.; Nüske, F.; Philipp, F.; Schaller, M.; Worthmann, K.: Equivariance and partial observations in Koopman operator theory for partial differential equations. Journal of Computational Dynamics 12 (2), pp. 305 - 324 (2025)

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Journal Article

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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Journal Article

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: LigniFrac: Proof of concept of a scalable continuous lignin fractionation process. Chemical Engineering Journal, 161113 (2025)

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Journal Article

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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Journal Article

Savchenko, M. O.; Skrypnik, I. I.; Yevgenieva, Y.: A Note on the Weak Harnack Inequality for Unbounded Minimizers of Elliptic Functionals with Generalized Orlicz Growth. Annali di matematica pura ed applicata (2025)

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Journal Article

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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Journal Article

Sorrentino, A.; Sivasankaran, M.; Vidaković-Koch, T.: Demystifying Z-behavior of hydrogen in electrochemical CO2reduction. Electrochimica Acta 514, 145535 (2025)

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Journal Article

Xu, K.-L.; Li, Z.; Benner, P.: Parametric Interpolation Model Order Reduction on Grassmann Manifolds by Parallelization. IEEE Transactions on Circuits and Systems II: Express Briefs 72 (1), pp. 198 - 202 (2025)

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Journal Article

Yildiz, S.; Goyal, P. K.; Benner, P.: Structure-Preserving Learning for Multi-Symplectic PDEs. Advanced Modeling and Simulation in Engineering Sciences (accepted)

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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 43 (24), pp. 3096 - 3105 (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 27 (3), pp. 299 - 312 (2024)

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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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Journal Article

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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