Publications of the Max Planck Institute

Journal Article (126)

2018
Journal Article
Akram, N.; Qamar, S.; Seidel-Morgenstern, A.: Nonlinear model of liquid chromatography considering finite rates of adsorption-desorption kinetics and core-shell adsorbents. Journal of Liquid Chromatography & Related Technologies 41 (17-18), pp. 964 - 972 (2018)
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Altmann, R.; Heiland, J.: Regularization and Rothe Discretization of Semi-Explicit Operator DAEs. International Journal of Numerical Analysis and Modeling 15 (3), pp. 452 - 478 (2018)
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Antoulas, A. C.; Benner, P.; Feng, L.: Model Reduction by Iterative Error System Approximation. Mathematical and Computer Modelling of Dynamical Systems 24 (2), pp. 103 - 118 (2018)
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Antoulas, A. C.; Zhu, B.; Zhang, Q.; York, B.; O'Malley, B. W.; Dacso, C. C.: A novel mathematical method for disclosing oscillations in gene transcription: A comparative study. PLoS ONE 13 (9), e0198503 (2018)
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Aydin, E.; Bonvin, D.; Sundmacher, K.: Computationally efficient NMPC for batch and semi-batch processes using parsimonious input parameterization. Journal of Process Control 66, pp. 12 - 22 (2018)
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Aydin, E.; Bonvin, D.; Sundmacher, K.: Toward Fast Dynamic Optimization: An Indirect Algorithm That Uses Parsimonious Input Parameterization. Industrial & Engineering Chemistry Research 57, pp. 10038 - 10048 (2018)
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Aydin, E.; Bonvin, D.; Sundmacher, K.: NMPC using Pontryagin’s Minimum Principle-Application to a two-phase semi-batch hydroformylation reactor under uncertainty. Computers and Chemical Engineering 108, pp. 47 - 56 (2018)
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Baran, B.; Benner, P.; Heiland, J.; Saak, J.: Optimal Control of a Stefan Problem Fully Coupled with Incompressible Navier-Stokes-Equations and Mesh Movement. Analele Stiintifice ale Universitatii Ovidius Constanta - Seria Matematica 26 (2), pp. 11 - 40 (2018)
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Baumann, M.; Astudillo, R.; Qiu, Y.; Ang, E. Y. M.; van , v. G.; Plessix, R.-E.: An MSSS-preconditioned Matrix Equation Approach for the Time-Harmonic Elastic Wave Equation at Multiple Frequencies. Computational Geosciences 22 (1), pp. 43 - 61 (2018)
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Baumann, M.; Benner, P.; Heiland, J.: Space-time Galerkin POD with Application in Optimal Control of Semi-Linear Parabolic Partial Differential Equations. SIAM Journal on Scientific Computing 40 (3), pp. A1611 - A1641 (2018)
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Bechtel, S.; Vidaković-Koch, T.; Sundmacher, K.: Novel process for the exergetically efficient recycling of chlorine by gas phase electrolysis of hydrogen chloride. Chemical Engineering Journal 346, pp. 535 - 548 (2018)
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Beneyton, T.; Krafft, D.; Bednarz, C.; Kleineberg, C.; Wölfer, C.; Ivanov, I.; Vidaković-Koch, T.; Sundmacher, K.; Baret, J.-C.: Out-of-equilibrium microcompartments for the bottom-up integration of metabolic functions. Nature Communications 9, 2391 (2018)
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Benner, P.; Bujanović, Z.; Kürschner, P.; Saak, J.: RADI: a Low-Rank ADI-Type Algorithm for Large Scale Algebraic Riccati Equations. Numerische Mathematik 138 (2), pp. 301 - 330 (2018)
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Benner, P.; Faßbender, H.; Yang, C.: Some Remarks on the Complex J-Symmetric Eigenproblem. Linear Algebra and Its Applications 544, pp. 407 - 442 (2018)
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Benner, P.; Goyal, P. K.; Gugercin, S.: H2-Quasi-Optimal Model Order Reduction for Quadratic-Bilinear Control Systems. SIAM Journal on Matrix Analysis and Applications 39 (2), pp. 983 - 1032 (2018)
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Benner, P.; Heiland, J.: Exponential Stability and Stabilization of Extended Linearizations via Continuous Updates of Riccati Based Feedback. International Journal of Robust and Nonlinear Control 28 (4), pp. 1218 - 1232 (2018)
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Benner, P.; Himpe, C.; Mitchell, T.: On Reduced Input-Output Dynamic Mode Decomposition. Advances in Computational Mathematics 44 (6), pp. 1751 - 1768 (2018)
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Benner, P.; Khoromskaia, V.; Khoromskij, B. N.: Range-Separated Tensor Format for Many-Particle Modeling. SIAM Journal on Scientific Computing 40 (2), pp. A1034 - A1062 (2018)
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Benner, P.; Lowe, R.; Voigt, M.: L-Norm Computation for Large-Scale Descriptor Systems Using Structured Iterative Eigensolvers. Numerical Algebra, Control and Optimization 8 (1), pp. 119 - 133 (2018)
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Benner, P.; Mena, H.: Numerical Solution of the Infinite-Dimensional LQR Problem and the Associated Riccati Differential Equations. Journal of Numerical Mathematics 26 (1), pp. 1 - 20 (2018)
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Benner, P.; Mitchell, T.: Faster and More Accurate Computation of the H Norm via Optimization. SIAM Journal on Scientific Computing 40 (5), pp. A3609 - A3635 (2018)
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Benner, P.; Qiu, Y.; Stoll, M.: Low-Rank Eigenvector Compression of Posterior Covariance Matrices for Linear Gaussian Inverse Problems. SIAM/ASA Journal on Uncertainty Quantification 6 (2), pp. 965 - 989 (2018)
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Benner, P.; Trautwein, C.: A Linear Quadratic Control Problem for the Stochastic Heat Equation Driven by Q-Wiener Processes. Journal of Mathematical Analysis and Applications 457 (1), pp. 776 - 802 (2018)
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Bosch, J.; Kahle, C.; Stoll, M.: Preconditioning of a Coupled Cahn-Hilliard Navier-Stokes system. Communications in Computational Physics 23, pp. 603 - 628 (2018)
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Bosch, J.; Klamt, S.; Stoll, M.: Generalizing diffuse interface methods on graphs: non-smooth potentials and hypergraphs. SIAM Journal on Applied Mathematics 78 (3), pp. 1350 - 1377 (2018)
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Boz, E.; Tüzün, N. S.; Stein, M.: Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst. RSC Advances 8, pp. 36662 - 36674 (2018)
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Braecher, A.; Kreusser, L. M.; Qamar, S.; Seidel-Morgenstern, A.; von Harbou, E.: Application of Quantitative Inline NMR Spectroscopy for Investigation of a Fixed-Bed Chromatographic Reactor Process. Chemical Engineering Journal 336, pp. 518 - 530 (2018)
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Buchbinder, J. H.; Pischel, D.; Sundmacher, K.; Flassig, R.; Lavrik, I. N.: Quantitative single cell analysis uncovers the life/death decision in CD95 network. PLOS Computational Biology 14 (9), e1006368 (2018)
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Buchholz, H. K.; Stein, M.: Accurate Lattice Energies of Organic Molecular Crystals from Periodic Turbomole Calculations. Journal of Computational Chemistry 39 (19), pp. 1335 - 1343 (2018)
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Bystron, T.; Vesely, M.; Paidar, M.; Papakonstantinou, G.; Sundmacher, K.; Bensmann, B.; Hanke-Rauschenbach, R.; Bouzek, K.: Enhancing PEM water electrolysis efficiency by reducing the extent of Ti gas diffusion layer passivation. Journal of Applied Electrochemistry 48 (6), pp. 713 - 723 (2018)
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Carvalho, S. B.; Fortuna, A. R.; Wolff, M. W.; Peixoto, C.; Alves, P. M.; Reichl, U.; Carrondo, M. J. T.: Purification of influenza virus-like particles using sulfated cellulose membrane adsorbers. Journal of Chemical Technology and Biotechnology 93 (7), pp. 1988 - 1996 (2018)
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Chuzel, L.; Ganatra, M. B.; Rapp, E.; Henrissat, B.; Taron, C. H.: Functional metagenomics identifies an exosialidase with an inverting catalytic mechanism that defines a new glycoside hydrolase family (GH156). The Journal of Biological Chemistry 293, pp. 18138 - 18150 (2018)
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Clerc, F.; Novokmet, M.; Dotz, V.; Reiding, K. R.; de Haan , N.; Kammeijer, G. S.M.; Dalebout, H.; Bladergroen, M. R.; Vukovic, F.; Rapp, E. et al.; Targan, S. R.; Barron, G.; Manetti , N.; Latiano, A.; McGovern, D. P.B.; Annese, V.; Lauc, G.; Wuhrer, M.: Plasma N-Glycan Signatures Are Associated With Features of Inflammatory Bowel Diseases. Gastroenterology 155 (3), pp. 829 - 843 (2018)
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David, U. U.; Qamar, S.; Seidel-Morgenstern, A.: Analytical and numerical solutions of two-dimensional general rate models for liquid chromatographic columns packed with core–shell particles. Chemical Engineering Research and Design 130, pp. 295 - 320 (2018)
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Dürr, R.; Waldherr, S.: A Novel Framework for Parameter and State Estimation of Multicellular Systems Using Gaussian Mixture Approximations. Processes 6 (10), 187 (2018)
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Escorcia Cabrera, A. M.; Stein, M.: QM/MM Investigation of the Role of a Second Coordination Shell Arginine in [NiFe]-Hydrogenases. Frontiers in Chemistry (6), 164 (2018)
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Fechtner, M.; Kienle, A.: Efficient simulation and equilibrium theory for adsorption processes with implicit adsorption isotherms – Ideal adsorbed solution theory. Chemical Engineering Science 177, pp. 284 - 292 (2018)
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Fischer, L. M.; Wolff, M. W.; Reichl, U.: Purification of cell culture-derived influenza A virus via continuous anion exchange chromatography on monoliths. Vaccine 36 (22), pp. 3153 - 3160 (2018)
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Fortuna, A. R.; Taft, F.; Villain, L.; Wolff, M. W.; Reichl, U.: Optimization of cell culture-derived influenza A virus particles purification using sulfated cellulose membrane adsorbers. Engineering in Life Sciences 18 (1), pp. 29 - 39 (2018)
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Freitag, M. A.; Kürschner, P.; Pestana, J.: GMRES Convergence Bounds for Eigenvalue Problems. Computational Methods in Applied Mathematics 18 (2), pp. 203 - 222 (2018)
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Gerlach, M.; Kirschtowski, S.; Seidel-Morgenstern, A.; Hamel, C.: Kinetic Modeling of the Palladium-Catalyzed Isomerizing Methoxycarbonylation of 1-Decene. Chemie-Ingenieur-Technik 90 (5), pp. 673 - 678 (2018)
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Golovin, I.; Strenzke, G.; Dürr, R.; Palis, S.; Bück, A.; Kienle, A.; Tsotsas, E.: Parameter Identification for Continuous Fluidized Bed Spray Agglomeration. Processes 6 (12), 246 (2018)
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Gosea, I. V.; Petreczky, M.; Antoulas, A. C.: Data-Driven Model Order Reduction of Linear Switched Systems in the Loewner Framework. SIAM Journal on Scientific Computing 40 (2), pp. B572 - B610 (2018)
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Gosea, I. V.; Antoulas, A. C.: Data‐driven model order reduction of quadratic‐bilinear systems. Numerical Linear Algebra with Applications: Special Issue: 7th Workshop on Matrix Equations and Tensor Techniques 25 (6), e2200 (2018)
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Gosea, I. V.; Petreczky, M.; Antoulas, A. C.; Fiter, C.: Balanced truncation for linear switched systems. Advances in Computational Mathematics 44 (6), pp. 1845 - 1886 (2018)
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Grushkovskaya, V.; Zuyev, A.; Ebenbauer, C.: On a Class of Generating Vector Fields for the Extremum Seeking Problem: Lie Bracket Approximation and Stability Properties. Automatica 94, pp. 151 - 160 (2018)
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Hädicke, O.; Kamp von, A.; Aydogan, T.; Klamt, S.: OptMDFpathway: Identification of metabolic pathways with maximal thermodynamic driving force and its application for analyzing the endogenous CO2 fixation potential of Escherichia coli. PLoS Computational Biology 14 (9), e1006492 (2018)
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Harder, B.-J.; Bettenbrock, K.; Klamt, S.: Temperature-dependent dynamic control of the TCA cycle increases volumetric productivity of itaconic acid production by Escherichia coli. Biotechnology and Bioengineering 115 (1), pp. 156 - 164 (2018)
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Himpe, C.: emgr - The Empirical Gramian Framework. Algorithms 11 (7), 91 (2018)
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Himpe, C.; Leibner, T.; Rave, S.: Hierarchical Approximate Proper Orthogonal Decomposition. SIAM Journal on Scientific Computing 40 (5), pp. A3267 - A3292 (2018)
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