Open Access Publications at MPI Magdeburg

Journal Article (790)

2022
Journal Article
Alla, A.; Gräßle, C.; Hinze, M.: Time Adaptivity in Model Predictive Control. Journal of Scientific Computing 90, 12 (2022)
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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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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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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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 (accepted)
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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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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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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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Zhang, X.; Zhou, T.; Sundmacher, K.: Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 68 (2), e17524 (2022)
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Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)
2021
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Ahmad, R.; Kleineberg, C.; Nasirimarekani, V.; Su, Y.-J.; Goli Pozveh, S.; Bae, A.; Sundmacher, K.; Bodenschatz, E.; Guido, I.; Vidaković-Koch, T. et al.; Gholami, A.: Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 10 (6), pp. 1490 - 1504 (2021)
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Ahmed, T.; Rehman, A.; Ali, A.; Qamar, S.: A high order multi-resolution WENO numerical scheme for solving viscous quantum hydrodynamic model for semiconductor devices. Results in Physics 23, 104078 (2021)
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Albis, A.; Jiménez, Y. P.; Graber, T. A.; Lorenz, H.: Reactive Crystallization Kinetics of K2SO4 from Picromerite-Based MgSO4 and KCl. Crystals 11 (12), 1558 (2021)
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Alfke, D.; Feng, L.; Lombardi, L.; Antonini, G.; Benner, P.: Model Order Reduction for Delay Systems by Iterative Interpolation. International Journal for Numerical Methods in Engineering 122 (3), pp. 684 - 706 (2021)
Journal Article
Asif, M. M. A.; Ahmad, M. I.; Benner, P.; Feng, L.; Stykel, T.: Implicit Higher-Order Moment Matching Technique for Model Reduction of Quadratic-bilinear Systems. Journal of the Franklin Institute 358 (3), pp. 2015 - 2038 (2021)
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Banagaaya, N.; Ali, G.; Grundel, S.; Benner, P.: Index-Aware Model-Order Reduction for a Special Class of Nonlinear Differential-Algebraic Equations. Journal of Dynamics and Differential Equations (2021)
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Bartholomäus, A.; Kolte, B.; Mustafayeva, A.; Goebel, I.; Fuchs, S.; Benndorf, D.; Engelmann, S.; Ignatova, Z.: smORFer: a modular algorithm to detect small ORFs in prokaryotes. Nucleic Acids Research (London) 49 (15), e89 (2021)
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Bastida, F.; Jehmlich, N.; Starke, R.; Schallert, K.; Benndorf, D.; López-Mondéjar, R.; Plaza, C.; Freixino, Z.; Ramírez-Ortuño, C.; Ruiz-Navarro, A. et al.; Díaz-López, M.; Vera, A.; Moreno, J.L.; Eldridge, D.J.; García, C.; Delgado-Baquerizo, M.: Structure and function of bacterial metaproteomes across biomes. Soil Biology and Biochemistry 160, 108331 (2021)
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Bechtel, S.; Crothers, A. R.; Weber, A. Z.; Kunz, U.; Turek, T.; Vidaković-Koch, T.; Sundmacher, K.: Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta 365, 137282 (2021)
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Behr, M.; Benner, P.; Heiland, J.: Galerkin Trial Spaces and Davison-Maki Methods for the Numerical Solution of Differential Riccati Equations. Applied Mathematics and Computation 410, 126401, 28 pages (2021)
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Bekiaris, P. S.; Klamt, S.: Designing microbial communities to maximize the thermodynamic driving force for the production of chemicals. PLoS Computational Biology 17 (6), e1009093 (2021)
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Benner, P.; Fassbender, H.; Saltenberger, P.: A Rational Even-IRA Algorithm for the Solution of T-even Polynomial Eigenvalue Problems. SIAM Journal on Matrix Analysis and Applications 42 (3), pp. 1172 - 1198 (2021)
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Benner, P.; Goyal, P. K.: Interpolation-Based Model Order Reduction for Polynomial Systems. SIAM Journal on Scientific Computing 43 (1), pp. A84 - A108 (2021)
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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 (2021)
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Benner, P.; Gugercin, S.; Werner, S. W. R.: Structure-Preserving Interpolation of Bilinear Control Systems. Advances in Computational Mathematics 47 (3), 43, 38 pages (2021)
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Benner, P.; Gugercin, S.; Werner, S. W. R.: Structure-Preserving Interpolation for Model Reduction of Parametric Bilinear Systems. Automatica 132, 109799, 9 pages (2021)
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Benner, P.; Khoromskaia, V.; Khoromskij, B.; Kweyu, C. M.; Stein, M.: Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing 43 (1), pp. A415 - A445 (2021)
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Benner, P.; Liang, X.; Miodragović, S.; Truhar, N.: Relative Perturbation Theory for Quadratic Hermitian Eigenvalue Problems. Linear Algebra and its Applications 618, pp. 97 - 128 (2021)
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Benner, P.; Palitta, D.: On the Solution of the Nonsymmetric T-Riccati Equation. Electronic Transactions on Numerical Analysis 54, pp. 68 - 88 (2021)
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Benner, P.; Stillfjord, T.; Trautwein, C.: A Linear Implicit Euler Method for the Finite Element Discretization of a Controlled Stochastic Heat Equation. IMA Journal of Numerical Analysis (2021)
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Benner, P.; Trautwein, C.: A Stochastic Maximum Principle for Control Problems Constrained by the Stochastic Navier-Stokes Equations. Applied Mathematics and Optimization 84, pp. 1001 - 1054 (2021)
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Benner, P.; Werner, S. W. R.: Frequency- and Time-Limited Balanced Truncation for Large-Scale Second-Order Systems. Linear Algebra and its Applications 623, pp. 68 - 103 (2021)
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Biemann, R.; Buß, E.; Benndorf, D.; Lehmann, T.; Schallert, K.; Püttker, S.; Reichl, U.; Isermann, B.; Schneider, J. G.; Saake, G. et al.; Heyer, R.: Fecal Metaproteomics Reveals Reduced Gut Inflammation and Changed Microbial Metabolism Following Lifestyle-Induced Weight Loss. Biomolecules 11 (5), 726 (2021)
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Bissinger, T.; Wu, Y.; Marichal-Gallardo, P.; Riedel, D.; Liu, X.; Genzel, Y.; Tan, W.; Reichl, U.: Towards integrated production of an influenza A vaccine candidate with MDCK suspension cells. Biotechnology and Bioengineering 118 (10), pp. 3996 - 4013 (2021)
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Boecker, S.; Harder, B.-J.; Kutscha, R.; Pflügl, S.; Klamt, S.: Increasing ATP turnover boosts productivity of 2,3-butanediol synthesis in Escherichia coli. Microbial Cell Factories 20, 63 (2021)
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Boz, E.; Stein, M.: Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences 22 (6), 3078 (2021)
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Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)
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Bukka, S. R.; Law, Y. Z.; Santo, H.; Chan, E. S.: Reduced Order Model for Nonlinear Multi-Directional Ocean Wave Propagation. Physics of Fluids 33 (11), 117115 (2021)
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Cao, X.; Benner, P.; Pontes Duff, I.; Schilders, W.: Model Order Reduction for Bilinear Control Systems with Inhomogeneous Initial Conditions. International Journal of Control 94 (10), pp. 2886 - 2895 (2021)
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Chellappa, S.; Feng, L.; Benner, P.: A Training Set Subsampling Strategy for the Reduced Basis Method. Journal of Scientific Computing 89, 63, 34 pages (2021)
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Chuzel, L.; Fossa, S. L.; Boisvert, M. L.; Cajic, S.; Hennig, R.; Ganatra, M. B.; Reichl, U.; Rapp, E.; Taron, C. H.: Combining functional metagenomics and glycoanalytics to identify enzymes that facilitate structural characterization of sulfated N-glycans. Microbial Cell Factories 20 (20), 162 (2021)
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Daas, H. A.; Ballard, G.; Benner, P.: Parallel Algorithms for Tensor Train Arithmetic. SIAM Journal on Scientific Computing (accepted)
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De Falco, P.; Weinkamer, R.; Wagermaier, W.; Li, C.; Snow, T.; Terrill, N. J.; Gupta, H. S.; Goyal, P. K.; Stoll, M.; Benner, P. et al.; Fratzl, P.: Tomographic X-ray Scattering based on Invariant Reconstruction: Analysis of the 3D Nanostructure of Bovine Bone. Journal of Applied Crystallography 54 (2), pp. 486 - 497 (2021)
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Di Marco, F.; Berger, T.; Esser-Skala, W.; Rapp, E.; Regl, C.; Huber, C. G.: Simultaneous Monitoring of Monoclonal Antibody Variants by Strong Cation-Exchange Chromatography Hyphenated to Mass Spectrometry to Assess Quality Attributes of Rituximab-Based Biotherapeutics. International Journal of Molecular Sciences 22 (16), 9072 (2021)
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Duvigneau, S.; Dürr, R.; Behrens, J.; Kienle, A.: Advanced kinetic modeling of bio-co-polymer Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) production using fructose and propionate as carbon sources. Processes 9 (8), 1260 (2021)
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Duvigneau, S.; Kettner, A.; Carius, L.; Griehl, C.; Findeisen, R.; Kienle, A.: Fast, inexpensive, and reliable HPLC method to determine monomer fractions in poly(3-hydroxybutyrate-co-3-hydroxyvalerate). Applied Microbiology and Biotechnology 105, pp. 4743 - 4749 (2021)
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Espinoza, S.; Linke, D.; Wulf, C.; Schimmler, S.; Schunk, S. A.; Benner, P.; Kraehnert, R.; Kragl, U.; Palkovits, R.; Palkovits, S. et al.; Oezaslan, M.; Gläser, R.; Bönisch, T.; Bohmer, N.; Resch, M.; Beller, M.; Deutschmann, O.; Bornscheuer, U.; Greiner, M.; Leitner, W.; Wagemann, K.: NFDI for Catalysis-Related Sciences: NFDI4Cat. Bausteine Forschungsdatenmanagement 2, pp. 57 - 71 (2021)
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Eussen, S. R. B. M.; Mank, M.; Kottler, R.; Hoffmann, X.-K.; Behne, A.; Rapp, E.; Stahl, B.; Mearin, M. L.; Koletzko, B.: Presence and Levels of Galactosyllactoses and Other Oligosaccharides in Human Milk and Their Variation during Lactation and According to Maternal Phenotype. Nutrients 13 (7), 2324 (2021)
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Fehr, J.; Himpe, C.; Rave, S.; Saak, J.: Sustainable Research Software Hand-Over. Journal of Open Research Software 9 (1), 5 (2021)
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Feichtinger, R. G.; Hüllen, A.; Koller, A.; Kotzot, D.; Grote, V.; Rapp, E.; Hofbauer, P.; Brugger, K.; Thiel, C.; Mayr, J. A. et al.; Wortmann, S. B.: A spoonful of L‐fucose—an efficient therapy for GFUS‐CDG, a new glycosylation disorder. Embo Molecular Medicine 13 (9), e14332 (2021)
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