Open Access Publications at MPI Magdeburg

Journal Article

Benner, P.; Goyal, P. K.; Heiland, J.; Pontes Duff, I.: Operator Inference and Physics-Informed Learning of Low-Dimensional Models for Incompressible Flows. Electronic Transactions on Numerical Analysis: Special Issue SciML 56, pp. 28 - 51 (2022)

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Journal Article

Benner, P.; Goyal, P. K.; Pontes Duff, I.: Gramians, Energy Functionals and Balanced Truncation for Linear Dynamical Systems with Quadratic Outputs. IEEE Transactions on Automatic Control 67 (2), pp. 886 - 893 (2022)

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Journal Article

Benner, P.; Heiland, J.; Werner, S. W. R.: Robust Output-Feedback Stabilization for Incompressible Flows using Low-Dimensional H_∞-Controllers. Computational Optimization and Applications 82, pp. 225–249 - 249 (2022)

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Journal Article

Benner, P.; Heiland, J.; Werner, S. W. R.: A Low-Rank Solution Method for Riccati Equations with Indefinite Quadratic Terms. Numerical Algorithms (2022)

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Journal Article

Benner, P.; Iannazzo, B.; Meini, B.; Palitta, D.: Palindromic Linearization and Numerical Solution of Nonsymmetric Algebraic T-Riccati Equations. BIT Numerical Mathematics (2022)

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Journal Article

Benner, P.; Liang, X.: Convergence Analysis of Vector Extended Locally Optimal Block Preconditioned Extended Conjugate Gradient Method for Computing Extreme Eigenvalues. Numerical Linear Algebra with Applications, e2445, 24 pages (2022)

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Journal Article

Benner, P.; Nakatsukasa, Y.; Penke, C.: Stable and Efficient Computation of Generalized Polar Decompositions. SIAM Journal on Matrix Analysis and Applications (SIMAX) (accepted)

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Journal Article

Benner, P.; Penke, C.: Efficient and Accurate Algorithms for Solving the Bethe-Salpeter Eigenvalue Problem for Crystalline Systems. Journal of Computational and Applied Mathematics 400, 113650 (2022)

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Journal Article

Boecker, S.; Espinel-Rios, S.; Bettenbrock, K.; Klamt, S.: Enabling anaerobic growth of Escherichia coli on glycerol in defined minimal medium using acetate as redox sink. Metabolic Engineering 73, pp. 50 - 57 (2022)

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Journal Article

Cherifi, K.; Goyal, P. K.; Benner, P.: A Greedy Data Collection Scheme For Linear Dynamical Systems. Data-Centric Engineering 3, e16 (2022)

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Journal Article

Cherifi, K.; Goyal, P. K.; Benner, P.: A Non-Intrusive Method to Inferring Linear Port-Hamiltonian Realizations using Time-Domain Data. Electronic Transactions on Numerical Analysis: Special Issue SciML 56, pp. 102 - 116 (2022)

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Journal Article

Daas, H. A.; Ballard, G.; Benner, P.: Parallel Algorithms for Tensor Train Arithmetic. SIAM Journal on Scientific Computing 44 (1), pp. C25 - C53 (2022)

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Journal Article

de la Rubia, V.; Chellappa, S.; Feng, L.; Benner, P.: Fast A Posteriori State Error Estimation for Reliable Frequency Sweeping in Microwave Circuits via the Reduced-Basis Method. IEEE Transactions on Microwave Theory and Techniques (accepted)

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Journal Article

Duvigneau, S.; Dürr, R.; Wulkow, M.; Kienle, A.: Multiscale modeling of the microbial production of polyhydroxyalkanoates using two carbon sources. Computers and Chemical Engineering (160), 107740 (2022)

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Journal Article

Espinel-Rios, S.; Bettenbrock, K.; Klamt, S.; Findeisen, R.: Maximizing batch fermentation efficiency by constrained model-based optimization and predictive control of adenosine triphosphate turnover. AIChE-Journal 68 (4), e17555 (2022)

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Journal Article

Felischak, M.; Wolff, T.; Alvarado Perea, L.; Seidel-Morgenstern, A.; Hamel, C.: Evaluation of Catalysts for the Metathesis of Ethene and 2-Butene to Propene. catalysts 12 (2), 188 (2022)

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Journal Article

Gosea, I. V.: Exact and Inexact Lifting Transformations of Nonlinear Dynamical Systems: Transfer Functions, Equivalence, and Complexity Reduction. Applied Sciences 12 (5), 2333 (2022)

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Journal Article

Gosea, I. V.; Gugercin, S.: Data-driven modeling of linear dynamical systems with quadratic output in the AAA framework. Journal of Scientific Computing 91, 16 (2022)

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Journal Article

Gosea, I. V.; Gugercin, S.; Beattie, C.: Data-driven balancing of linear dynamical systems. SIAM Journal on Scientific Computing 44 (1), pp. A554 - A582 (2022)

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Journal Article

Goyal, P. K.; Benner, P.: Discovery of Nonlinear Dynamical Systems using a Runge-Kutta Inspired Dictionary-based Sparse Regression Approach. Proceedings of the Royal Society A (2022)

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Journal Article

Grundel, S.; Heyder, S.; Hotz, T.; Ritschel, T. K.S.; Sauerteig, P.; Worthmann, K.: How much testing and social distancing is required to control COVID-19? Some insight based on an age-differentiated compartmental model. SIAM Journal on Control and Optimization 60 (2), pp. S145 - S169 (2022)

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Journal Article

Hamel, C.; Seidel-Morgenstern, A.: Potenzial von Membranen zur verbesserten Reaktionsführung von Selektivoxidationen: Katalysator‐, Reaktor‐ und Prozessebene . Chemie Ingenieur Technik 94 (1-2), pp. 56 - 69 (2022)

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Journal Article

Heiland, J.; Benner, P.; Bahmani, R.: Convolutional Neural Networks for Very Low-dimensional LPV Approximations of Incompressible Navier-Stokes Equations. Frontiers in Applied Mathematics and Statistics, section Statistical and Computational Physics 8, 879140 (2022)

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supplementary-material

Journal Article

Heiland, J.; Unger, B.: Identification of linear time-invariant systems with Dynamic Mode Decomposition. mathematics 10 (3), 418 (2022)

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Journal Article

Hund, M.; Mitchell, T.; Mlinarić, P.; Saak, J.: Optimization-Based Parametric Model Order Reduction via H₂ ⊗ L₂ First-Order Necessary Conditions. SIAM Journal on Scientific Computing 44 (3), pp. A1554 - A1578 (2022)

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Journal Article

Jameel, F.; Stein, M.: The many roles of solvent in homogeneous catalysis - The reductive amination showcase. Journal of Catalysis 405, pp. 24 - 34 (2022)

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Journal Article

Khan, A.; Perveen, S.; Shaheen, Z.; Qamar, S.: Numerical approximation of non-linear chromatographic models considering Bi-Langmuir isotherm. Thermal Science 26 (1 Part A), pp. 77 - 93 (2022)

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Journal Article

Kortuz, W.; Kirschtowski, S.; Seidel-Morgenstern, A.; Hamel, C.: Kinetics of the Rhodium‐Catalyzed Hydroaminomethylation of 1‐Decene in a Thermomorphic Solvent System. Chemie Ingenieur Technik 94 (5), pp. 760 - 765 (2022)

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Journal Article

Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for the Nonlinear Poisson-Boltzmann Equation regularized by the Range-Separated Canonical Tensor Format. International Journal of Nonlinear Sciences and Numerical Simulation (2022)

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Journal Article

Lücke, M.; Nüske, F.: tgEDMD: Approximation of the Kolmogorov Operator in Tensor Train Format. Journal of Nonlinear Science 32, 44 (2022)

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Journal Article

Mahour, R.; Lee, J. W.; Grimpe, P.; Boecker, S.; Grote, V.; Klamt, S.; Seidel-Morgenstern, A.; Rexer, T.; Reichl, U.: Cell‐free multi‐enzyme synthesis and purification of uridine diphosphate galactose. ChemBioChem 23 (2), e202100361 (2022)

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Journal Article

Marušič, N.; Otrin, L.; Rauchhaus, J.; Zhao, Z.; Kyrilis, F. L.; Hamdi, F.; Kastritis, P. L.; Dimova, R.; Ivanov, I.; Sundmacher, K.: Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proceedings of the National Academy of Sciences 119 (20), e2122468119 (2022)

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Journal Article

Marušič, N.; Zhao, Z.; Otrin, L.; Dimova, R.; Ivanov, I.; Sundmacher, K.: Fusion‐Induced Growth of Biomimetic Polymersomes: Behavior of Poly(dimethylsiloxane)‐Poly(ethylene oxide) Vesicles in Saline Solutions Under High Agitation. Macromolecular Rapid Communications 43 (5), e2100712 (2022)

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Journal Article

Mitchell, T.; Overton, M. L.: On Properties of Univariate Max Functions at Local Maximizers. Optimization Letters (2022)

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Journal Article

Natarajan, M.; Kumar, N.; Joshi, M.; Stein, M.; Kaur‐Ghumaan, S.: Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand. ChemistryOpen 11 (1), e202100238 (2022)

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Journal Article

Offersgaard, A.; Duarte Hernandez, C. R.; Pihl, A. F.; Venkatesan, N. P.; Krarup, H.; Lin, X.; Reichl, U.; Bukh, J.; Genzel, Y.; Gottwein, J. M.: High-Titer Hepatitis C Virus Production in a Scalable Single-Use High Cell Density Bioreactor. Vaccines 10 (2), 249 (2022)

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Journal Article

Palitta, D.; Lefteriu, S.: An Efficient, Memory-Saving Approach for the Loewner Framework. Journal of Scientific Computing 91, 31 (2022)

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Journal Article

Papakonstantinou, G.; Spanos, I.; Dam, A. P.; Schlögl, R.; Sundmacher, K.: Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Physical Chemistry Chemical Physics 24 , pp. 14579 - 14591 (2022)

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Journal Article

Qin, H.; Wang, Z.; Song, Z.; Zhang, X.; Zhou, T.: High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes 10 (1), 165 (2022)

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Journal Article

Redmann, M.; Pontes Duff, I.: Full State Approximation by Galerkin Projection Reduced Order Models for Stochastic and Bilinear Systems. Applied Mathematics and Computation 420, 126561 (2022)

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Journal Article

Redmann, M.; Pontes Duff, I.: Model Order Reduction for Bilinear Systems with Non-Zero Initial States - different Approaches with Error Bounds. International Journal of Control (2022)

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Journal Article

Rodrigues Correia Ramos, J.; Bissinger, T.; Genzel, Y.; Reichl, U.: Impact of Influenza A Virus Infection on Growth and Metabolism of Suspension MDCK Cells Using a Dynamic Model. Metabolites 12 (3), 239 (2022)

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Journal Article

Saikia, B.; Seidel-Morgenstern, A.; Lorenz, H.: Multicomponent Materials to Improve Solubility: Eutectics of Drug Aminoglutethimide. Crystals 12 (1), 40 (2022)

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Journal Article

Sanchez Medina, E. I.; Linke, S.; Stoll, M.; Sundmacher, K.: Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 1 (3), pp. 216 - 225 (2022)

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Journal Article

Schulze-Niemand, E.; Naumann, M.; Stein, M.: Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics 90 (4), pp. 947 - 958 (2022)

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Journal Article

Scoma, A.; Khor, W.; Coma, M.; Heyer, R.; Props, R.; Bouts, T.; Benndorf, D.; Li, D.; Zhang, H.; Rabaey, K.: Lignocellulose Fermentation Products Generated by Giant Panda Gut Microbiomes Depend Ultimately on pH Rather than Portion of Bamboo: A Preliminary Study. Microorganisms 10 (5), 978 (2022)

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Journal Article

Thiele, S.; Kamp von, A.; Bekiaris, P. S.; Schneider, P.; Klamt, S.: CNApy: a CellNetAnalyzer GUI in Python for Analyzing and Designing Metabolic Networks. Bioinformatics 38 (5), pp. 1467 - 1469 (2022)

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Journal Article

Tolonen, A. C.; Beauchemin, N.; Bayne, C.; Li, L.; Tan, J.; Lee, J.; Meehan, B. M.; Meisner, J.; Millet, Y.; LeBlanc, G. et al.; Kottler, R.; Rapp, E.; Murphy, C.; Turnbaugh, P. J.; von Maltzahn, G.; Liu, C. M.; van Hylckama Vlieg, J. E. T.: Synthetic glycans control gut microbiome structure and mitigate colitis in mice. Nature Communications 13 (1), 1244 (2022)

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Journal Article

Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R. et al.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L.: Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 14 (8), e202101878 (2022)

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