OA Publications of the Max Planck Institute

Journal Article

Carson, E.; Lund, K.; Ma, Y.; Oktay, E.: On the Loss of Orthogonality in Low-Synchronization Variants of Reorthogonalized Block Classical Gram-Schmidt. Linear Algebra and its Applications 732, pp. 162 - 206 (2026)

MPG.PuRe

Journal Article

Forootani, A.; Kapadia, H.; Chellappa, S.; Goyal, P. K.; Benner, P.: Equation Discovery: Performing Sparse Regression (SINDy) on the Refined Analytical Gradients. International Journal of Systems Science (2026)

MPG.PuRe

Journal Article

Gkimisis, L.; Pontes Duff, I.; Goyal, P. K.; Benner, P.: On the Representation of Energy-Preserving Quadratic Operators with Application to Operator Inference. Applied Mathematics Letters 173, 109761 (2026)

MPG.PuRe

Journal Article

Gkimisis, L.; Yildiz, S.; Benner, P.; Richter, T.: A CFL-type Condition and Theoretical Insights for Discrete-Time Sparse Full-Order Model Inference. Journal of Computational and Applied Mathematics 482, 117269 (2026)

MPG.PuRe

Journal Article

Hellwig, P.; Seick, I.; Meinusch, N.; Benndorf, D.; Wiese, J.; Reichl, U.; Heyer, R.: Molecular community data meets anaerobic digestion Model 1 (ADM1) – a study about the correlation between metagenome-centric metaproteomics data of a two-step full-scale anaerobic digester and its corresponding mathematical model. Water Research 292, 125272 (2026)

MPG.PuRe

Journal Article

Kaps, L.; Leipold, J.; Plate, C.; Martensen, C. J.; Kortuz, W.; Seidel-Morgenstern, A.; Kienle, A.; Sager, S.: Optimal Experiments for Hybrid Modeling of Methanol Synthesis Kinetics. Computers and Chemical Engineering 204, 109387 (2026)

MPG.PuRe

Journal Article

Menard, J. A.; Zinnecker, T. M.; Godbout, E.; Roberts, J. A.; Arulanandam, R.; Chen, A.; Landry, A.; Boddy, C. N.; Reichl, U.; Diallo, J.-S. et al.; Genzel, Y.; Smith, J. C.: Lipidomic profiling of influenza A virus production in MDCK cells towards targeted clone selection. Scientific Reports 16, 882 (2026)

MPG.PuRe

Journal Article

Minor, A.-J.; Sanchez Medina, E. I.; Goldhahn, R.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Chemical recycling of nylon 6 using ionic liquids: From solvent screening to techno-economic assessment. Separation and Purification Technology 386, 136502 (2026)

MPG.PuRe

Full

Journal Article

Morandin, R.; Hinsen, D.: Dissipative Energy Functionals of Passive Linear Time‐Varying Systems. ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik 106 (2), e70325 (2026)

MPG.PuRe

Journal Article

Peterson, L.; Forootani, A.; Sanchez Medina, E. I.; Gosea, I. V.; Sundmacher, K.; Benner, P.: Towards Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO2 Methanation Reactor. IEEE Transactions on Automation Science and Engineering 23, pp. 3469 - 3483 (2026)

MPG.PuRe

Journal Article

Pradovera, D.; Gosea, I. V.; Heiland, J.: Barycentric Rational Approximation for Learning the Index of a Dynamical System from Limited Data. Journal of Scientific Computing 107, 111 (2026)

MPG.PuRe

Full

Journal Article

Przybilla, J.; Ugrica Vukojevic, M.; Truhar, N.; Benner, P.: An adaptive scheme for the optimization of damping positions by decoupling controllability spaces in vibrational systems. Zeitschrift für angewandte Mathematik und Mechanik 106 (3), e70353 (2026)

MPG.PuRe

Full

Journal Article

Qin, H.; Zhang, X.; Ruan, J.; Sundmacher, K.: Screen ammonium‐based deep eutectic solvents forCO2capture: ExtendedUNIFAC‐DES, calibratedCOSMO‐RS, and experiment. AIChE Journal 72 (2), e70121 (2026)

MPG.PuRe

Journal Article

Reddig, C.; Goyal, P. K.; Pontes Duff, I.; Benner, P.: Active Sampling of Interpolation Points to Identify Dominant Subspaces for Model Reduction. International Journal for Numerical Methods in Engineering 127 (1), e70227 (2026)

MPG.PuRe

Journal Article

Reimann, A.-M.; Schalk, E.; Mougiakakos, D.; Fischer, T.; Sager, S.: Exploring innovative G-CSF schedules in AML cytarabine-based consolidation through a digital twin study of white blood cell recovery. PLoS One 21 (1), e0329242 (2026)

MPG.PuRe

Journal Article

Sanchez Medina, E. I.; Sundmacher, K.: Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction. Fluid Phase Equilibria 599, 114520 (2026)

MPG.PuRe

ZIP

Journal Article

Sun, S.; Feng, L.; Benner, P.: Data-Augmented Predictive Deep Neural Network: Enhancing the Extrapolation Capabilities of Non-Intrusive Surrogate Models. Computer Methods in Applied Mechanics and Engineering 450, 118604 (2026)

MPG.PuRe

Journal Article

Vu, T. G.; Lehr, A.; Seidel-Morgenstern, A.: Short-cut model to design an efficient continuous counter-current extraction process applied to recover artemisinin from Artemisia annua. Chemical Engineering Journal 527, 171458 (2026)

MPG.PuRe

Journal Article

Zuniga-Banuelos, F. J.; Hoffmann, M.; Reichl, U.; Rapp, E.: New Avenues for Human Blood Plasma Biomarker Discovery via Improved In-Depth Analysis of the Low-Abundant N-glycoproteome. Engineering 57, pp. 23 - 42 (2026)

MPG.PuRe

2025

Journal Article

Abbasi-Esfeden, R.; Plate, C.; Sager, S.; Swevers, J.: A Dynamic Programming-Inspired Approach for Mixed Integer Optimal Control Problems with Dwell Time Constraints. Journal of Process Control 154, 103522 (2025)

MPG.PuRe

Journal Article

Al-Hamadi, R.; Lehr, A.; Janiga, G.; Seidel-Morgenstern, A.; Thévenin, D.: Experimental investigation of the solid phase residence time distribution in screw extractors. Powder Technology 466, 121446 (2025)

MPG.PuRe

Journal Article

Al-Shaibani, M. A. S.; Verma, S.; Živković, L. A.; Vidaković-Koch, T.: Revisiting the Reaction Mechanism of Electrochemical 1,4‐NADH Regeneration on Carbon Electrodes. ChemCatChem 17, e00975 (2025)

MPG.PuRe

Journal Article

Altaf, H.; Miličić, T.; Faber, F.; Vidaković-Koch, T.; Tsotsas, E.; Vorhauer-Huget, N.: Use of Reconstructed Pore Networks for Determination of Effective Transport Parameters of Commercial Ti-Felt PTLs. Processes 13 (4), 943 (2025)

MPG.PuRe

Journal Article

Antoulas, A. C.; Gosea, I. V.; Poussot-Vassal, C.: On the Loewner Framework, the Kolmogorov Superposition Theorem, and the Curse of Dimensionality. SIAM Review 67 (4), pp. 737 - 770 (2025)

MPG.PuRe

Journal Article

Aumann, Q.; Gosea, I. V.: Practical Challenges in Data-Driven Interpolation: Dealing with Noise, enforcing Stability, and Computing Realizations. International Journal of Adaptive Control and Signal Processing: Special Issue: Reduced‐Order, Data‐Driven, and Decomposition Methods for Modelling, Identification, and Estimation 39 (10), pp. 2062 - 2080 (2025)

MPG.PuRe

Journal Article

Banga, J. R.; Sager, S.: Generalized Inverse Optimal Control and its Application in Biology. Annual Reviews in Control 60, 101029 (2025)

MPG.PuRe

Journal Article

Beer, K.; Böcher, M.; Ganzer, C.; Blöbaum, A.; Engel, L.; De Paula Sieverding, T.; Sundmacher, K.; Matthies, E.: Forest-based bioeconomy and bio-based chemical production in the European Union: Policy issues, institutions, actors, and instruments in a changing forest policy subsystem. Forest Policy and Economics 177, 103521 (2025)

MPG.PuRe

Journal Article

Benner, P.; Chuiko, S.; Chuiko, M. O.: Linear l-structured Matrix Equations. Bukovinian Mathematical Journal 13 (1), pp. 118 - 128 (2025)

MPG.PuRe

Journal Article

Berger, T.; Nüske, F.: Funnel Control for Langevin Dynamics. Automatica 179, 112448 (2025)

MPG.PuRe

Journal Article

Bradde, T.; Grivet-Talocia, S.; Aumann, Q.; Gosea, I. V.: A Modified AAA Algorithm for Learning Stable Reduced-Order Models from Data. Journal of Scientific Computing 103 (1), 14 (2025)

MPG.PuRe

Journal Article

Burock, R.; Chuzel, L.; Kähne, T.; Reichl, U.; Rapp, E.; Hennig, R.: Raider of the lost N-glycans – Localizing rare and frequently overlooked IgG N-glycans with sulfation or bisecting LacNAc. Frontiers in Molecular Biosciences 12, 1593708 (2025)

MPG.PuRe

Journal Article

Cabral, T. L. G.; Brussolo da Silva, J. P.; Tormena, C. F.; Stein, M.: Molecular Recognition and Chiral Discrimination from NMR and Multi‐Scale Simulations. Chemistry – A European Journal 31 (25), e202404694 (2025)

MPG.PuRe

Journal Article

Cao, S.; Nüske, F.; Liu, B.; Soley, M.; Huang, X.: AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics. Journal of Chemical Theory and Computation 21 (9), pp. 4855 - 4866 (2025)

MPG.PuRe

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)

MPG.PuRe

Journal Article

Carson, E.; Chen, X.; Liu, X.: Mixed Precision HODLR Matrices. SIAM Journal on Scientific Computing 47 (3), pp. A1408 - A1435 (2025)

MPG.PuRe

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)

MPG.PuRe

Journal Article

Chang Dominguez, D.; Dam, A. P.; Richter, T.; Sundmacher, K.; Alia, S. M.: Application of a Temporal Multiscale Method for Efficient Simulation of Degradation in PEM Water Electrolysis under Dynamic Operation. Computers and Chemical Engineering 198, 109083 (2025)

MPG.PuRe

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)

MPG.PuRe

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)

MPG.PuRe

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)

MPG.PuRe

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)

MPG.PuRe

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)

MPG.PuRe

Journal Article

Fotovati, M.; Lee, J. W.; Taheri, M.; Ghassempour, A.; Rezadoost, H.; Seidel-Morgenstern, A.: Chromatographic method to isolate valuable ingredients of saffron extracts. Journal of Chromatography A 1757, 466098 (2025)

MPG.PuRe

Journal Article

Franz, T.; Miličić, T.; Papakonstantinou, G.; Vidaković-Koch, T.; Sundmacher, K.: On the origin of low-frequency inductive loops in the impedance spectra of proton exchange membrane water electrolyzers. Journal of Power Sources 655, 237981 (2025)

MPG.PuRe

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)

MPG.PuRe

Journal Article

Gänsch, J.; Huskova, N.; Mangold, M.; Seidel-Morgenstern, A.; Lorenz, H.: Improving productivity and process robustness of fluidized bed crystallization for the continuous separation of enantiomers. Separation and Purification Technology 378, 134410 (2025)

MPG.PuRe

Journal Article

Ganzer, C.; Patrizio, P.; Mac Dowell, N.: Net zero in power and industry—creating or destroying value and jobs? iScience 28 (4), 112185 (2025)

MPG.PuRe

Journal Article

Gerlach, M.; Huxoll, F.; Jameel, F.; Stein, M.; Seidel-Morgenstern, A.; Hamel, C.; Sadowski, G.: Activity-based approach to predict the effect of solvent composition on the reaction kinetics of hydroformylation. Chemical Engineering Journal 513, 162959 (2025)

MPG.PuRe

Journal Article

Ghaffari, S.; Gutierrez, M.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Solubility and Metastable Zone Width Measurement of Na2CO3Hydrate Phases in the Na2CO3–NaOH–H2O System as a Basis for a Novel Carbon-Negative Soda Ash Production Strategy. Industrial & Engineering Chemistry Research 64 (21), pp. 10564 - 10577 (2025)

MPG.PuRe