Publications of the Institute

Journal Article

Jakovcevic Stor, N.; Mitchell, T.; Tomljanovic, Z.; Ugrica, M.: Fast optimization of viscosities for frequency-weighted damping of second-order systems. Zeitschrift für angewandte Mathematik und Mechanik 103 (5), e202100127, 21 pages (2023)

MPG.PuRe

Journal Article

Kaim, V.; Joshi, M.; Stein, M.; Kaur-Ghumaan, S.: Mono-nuclear ruthenium catalyst for hydrogen evolution. International Journal of Hydrogen Energy 48 (79), pp. 30718 - 30731 (2023)

MPG.PuRe

Journal Article

Kamp von, A.; Klamt, S.: Balancing biomass reaction stoichiometry and measured fluxes in flux balance analysis. Bioinformatics 39 (10), btad600 (2023)

MPG.PuRe

Journal Article

Karacelik, A. A.; Yalçin-Özkat, G.: Mentha longifolia ssp. longifolia Essential Oil Components as Novel Carbonic Anhydrase Isoform i and IX Inhibitors: Biological and Molecular Docking Studies. Letters in Drug Design and Discovery 20 (6), pp. 767 - 778 (2023)

MPG.PuRe

Journal Article

Keßler, T.; Kienle, A.: Robust Design and Operation of a Multistage Reactor for Methanol Synthesis from Renewable Resources. Processes 11 (10), 2928 (2023)

MPG.PuRe

Journal Article

Khorrami, M. S.; Mianroodi, J. R.; Siboni, N. H.; Goyal, P. K.; Svendsen, B.; Benner, P.; Raabe, D.: An Artificial Neural Network for Surrogate Modeling of Stress Fields in Viscoplastic Polycrystalline Materials. npj Computational Materials 9, 37 (2023)

MPG.PuRe

Journal Article

König-Mattern, L.; Komarova, A. O.; Ghosh, A.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J.; Sundmacher, K.: High-throughput computational solvent screening for lignocellulosic biomass processing. Chemical Engineering Journal 452, 139476 (2023)

MPG.PuRe

Journal Article

Kopton, J.; Rihko-Struckmann, L.; König-Mattern, L.; Sundmacher, K.: Superstructure optimization of a microalgal biorefinery design with life cycle assessment‐based and economic objectives. Biofuels, Bioproducts and Biorefining 17 (6), pp. 1515 - 1527 (2023)

MPG.PuRe

Journal Article

Kortuz, W.; Kirschtowski, S.; Seidel-Morgenstern, A.; Hamel, C.: Mechanistic kinetic modeling of the rhodium-catalyzed tandem hydroaminomethylation of 1-decene in a thermomorphic solvent system. Catalysis Communications 177, 106633 (2023)

MPG.PuRe

Journal Article

Kour, K.; Dolgov, S.; Stoll, M.; Benner, P.: Efficient Structure-preserving Support Tensor Train Machine. Journal of Machine Learning Research 24 (4), pp. 1 - 22 (2023)

MPG.PuRe

Journal Article

Küchler, J.; Willenbücher, K.; Reiß, E.; Nuß, L.; Conrady, M.; Ramm, P.; Schimpf, U.; Reichl, U.; Szewzyk, U.; Benndorf, D.: Degradation Kinetics of Lignocellulolytic Enzymes in a Biogas Reactor Using Quantitative Mass Spectrometry. Fermentation 9 (1), 67 (2023)

MPG.PuRe

Journal Article

Kumar, R.; Stein, M.: The Fully Oxidized State of the Glutamate Coordinated O2-Tolerant [NiFe]-Hydrogenase Shows a Ni(III)/Fe(III) Open-Shell Singlet Ground State. Journal of the American Chemical Society 145, pp. 10954 - 10959 (2023)

MPG.PuRe

Journal Article

Kumar, V.; Djemai, M.: Existence, Stability and Controllability of Piecewise Impulsive Dynamic Systems on Arbitrary Time Domain. Applied Mathematical Modelling 117, pp. 529 - 548 (2023)

MPG.PuRe

Journal Article

Kumar, V.; Heiland, J.; Benner, P.: Exponential Lag Synchronization of Cohen-Grossberg Neural Networks with Discrete and Distributed Delays on Time Scales. Neural Processing Letters 55, pp. 9907 - 9929 (2023)

MPG.PuRe

Journal Article

Kumar, V.; Heiland, J.; Benner, P.: Projective Lag Quasi-Synchronization of Coupled Systems with Mixed Delays and Parameter Mismatch: A Unified Theory. Neural Computing and Applications 35, pp. 23649 - 23665 (2023)

MPG.PuRe

Journal Article

Kumar, V.; Stamov, G.; Stamova, I.: Controllability Results for a Class of Piecewise Nonlinear Impulsive Fractional Dynamic Systems. Applied Mathematics and Computation 439, 127625 (2023)

MPG.PuRe

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 24 (8), pp. 2915 - 2935 (2023)

MPG.PuRe

Journal Article

Lehr, A.; Vu, T. G.; Janiga, G.; Seidel-Morgenstern, A.; Thévenin, D.: Experimental investigation of the residence time distribution in a screw-type apparatus designated to extract artemisinin. Chemical Engineering and Processing - Process Intensification 187, 109337 (2023)

MPG.PuRe

Journal Article

Leipold, J.; Seidel, C.; Nikolic, D.; Seidel-Morgenstern, A.; Kienle, A.: Optimization of methanol synthesis under forced periodic operation in isothermal fixed-bed reactors. Computers and Chemical Engineering 175, 108285 (2023)

MPG.PuRe

Journal Article

Lund, K.; Schweitzer, M.: The Fréchet Derivative of the Tensor t-Function. Calcolo 60, 35 (2023)

MPG.PuRe

Journal Article

Maggi, A.; Bremer, J.; Sundmacher, K.: Multi-period optimization for the design and operation of a flexible power-to-methanol process. Chemical Engineering Science 281, 119202 (2023)

MPG.PuRe

Journal Article

Miličić, T.; Sivasankaran, M.; Blümner, C.; Sorrentino, A.; Vidaković-Koch, T.: Pulsed electrolysis – explained. Faraday Discussions 246, pp. 179 - 197 (2023)

MPG.PuRe

Journal Article

Minor, A.-J.; Goldhahn, R.; Rihko-Struckmann, L.; Sundmacher, K.: Chemical Recycling Processes of Nylon 6 to Caprolactam: Review and Techno-Economic Assessment. Chemical Engineering Journal 474, 145333 (2023)

MPG.PuRe

Journal Article

Mitchell, T.: Convergence Rate Analysis and Improved Iterations for Numerical Radius Computation. SIAM Journal on Scientific Computing 45 (2), pp. A753 - A780 (2023)

MPG.PuRe

Journal Article

Mitchell, T.: Fast Computation of Sepƛ via Interpolation-based Globality Certificates. Electronic Transactions on Numerical Analysis 58, pp. 402 - 431 (2023)

MPG.PuRe

Journal Article

Mitchell, T.; Van Dooren, P.: Root-Max Problems, Hybrid Expansion-Contraction, and Quadratically Convergent Optimization of Passive Systems. SIAM journal on matrix analysis and applications 44 (2), pp. 753 - 780 (2023)

MPG.PuRe

Journal Article

Morticelli, L.; Rossdam, C.; Cajic, S.; Böthig, D.; Magdei, M.; Tuladhar, S. R.; Petersen, B.; Fischer, K.; Rapp, E.; Korossis, S. et al.; Haverich, A.; Schnieke, A.; Niemann, H.; Buettner, F. F. R.; Hilfiker, A.: Genetic knockout of porcineGGTA1orCMAH/GGTA1is associated with the emergence of neo‐glycans. Xenotransplantation 30 (4), e12804 (2023)

MPG.PuRe

Journal Article

Nateghi, V.; Manzi, M.: Machine learning methods for nonlinear dimensionality reduction of the thermospheric density field. Advances in Space Research 72 (10), pp. 4106 - 4114 (2023)

MPG.PuRe

Journal Article

Nüske, F.; Klus, S.: Efficient Approximation of Molecular Kinetics using Random Fourier Features. The Journal of Chemical Physics 159 (7), 074105 (2023)

MPG.PuRe

Journal Article

Nüske, F.; Peitz, S.; Philipp, F.; Schaller, M.; Worthmann, K.: Finite-data error bounds for Koopman-based prediction and control. Journal of Nonlinear Science 33, 14 (2023)

MPG.PuRe

Journal Article

Offersgaard, A.; Duarte Hernandez, C. R.; Feng, S.; Marichal-Gallardo, P.; Holmbeck, K.; Pihl, A. F.; Fernandez-Antunez, C.; Peña Alzua, G.; Top Hartmann, K.; Pham, L. V. et al.; Zhou, Y.; Anbro Gammeltoft, K.; Fahnøe, U.; Schneider, U. V.; Pedersen, G. K.; Jensen, H. E.; Pravsgaard Christensen, J.; Ramirez, S.; Bukh, J.; Gottwein, J. M.: An inactivated SARS-CoV-2 vaccine induced cross-neutralizing persisting antibodies and protected against challenge in small animals. iScience 26 (2), 105949 (2023)

MPG.PuRe

Journal Article

Otto, E.; Duerr, R.; Kienle, A.: Stability of Combined Continuous Granulation and Agglomeration Processes in a Fluidized Bed with Sieve-Mill-Recycle. Processes 11 (2), 473 (2023)

MPG.PuRe

Journal Article

Pelz, L.; Piagnani, E.; Marsall, P.; Wynserski, N.; Hein, M. D.; Marichal-Gallardo, P.; Kupke, S. Y.; Reichl, U.: Broad-Spectrum Antiviral Activity of Influenza A Defective Interfering Particles against Respiratory Syncytial, Yellow Fever, and Zika Virus Replication In Vitro. Viruses 15 (9), 1872 (2023)

MPG.PuRe

Journal Article

Peña Arias, I.; Hanke-Rauschenbach, R.; Sundmacher, K.: Electrochemical Performance of a Spatially Distributed ECPrOx Reactor. ECS Advances 2 (3), 034501 (2023)

MPG.PuRe

Journal Article

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Fractionation and Absolute Molecular Weight Determination of Organosolv Lignin and Its Fractions: Analysis by a Novel Acetone-Based SEC─MALS Method. ACS Sustainable Chemistry & Engineering 11 (2), pp. 766 - 776 (2023)

MPG.PuRe

Journal Article

Raabe, J.-C.; Esser, T.; Jameel, F.; Stein, M.; Albert, J.; Poller, M. J.: Study on the incorporation of various elements into the Keggin lacunary-type phosphomolybdate [PMo9O34]9−and subsequent purification of the polyoxometalates by nanofiltration. Inorganic Chemistry Frontiers 10 (16), pp. 4854 - 4868 (2023)

MPG.PuRe

Journal Article

Rätze, K.; Kortuz, W.; Kirschtowski, S.; Jokiel, M.; Hamel, C.; Sundmacher, K.: Optimal experimental design for the identification of a reaction kinetic model for the hydroaminomethylation of 1-decene in a thermomorphic multiphase system. Chemical Engineering Journal 469, 143713 (2023)

MPG.PuRe

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 96 (6), pp. 1491 - 1504 (2023)

MPG.PuRe

Journal Article

Rumpler, R.; Aumann, Q.: MWCAWE: A Multivariate WCAWE Approach for Parametric Model Order Reduction, and a Sampling Strategy for the Bivariate Case. Journal of Computational Physics 490, 112319 (2023)

MPG.PuRe

Journal Article

Rüther, T.; Gosea, I. V.; Jahn, L.; Antoulas, A. C.; Danzer, M. A.: Introducing the Loewner Method as a Data-Driven and Regularization-Free Approach for the Distribution of Relaxation Times Analysis of Lithium-Ion Batteries. batteries 9 (2), 132 (2023)

MPG.PuRe

Journal Article

Sanchez Medina, E. I.; Kunchapu, S.; Sundmacher, K.: Gibbs–Helmholtz Graph Neural Network for the Prediction of Activity Coefficients of Polymer Solutions at Infinite Dilution. The Journal of Physical Chemistry A 127, pp. 9863 - 9873 (2023)

MPG.PuRe

Journal Article

Sanchez Medina, E. I.; Linke, S.; Stoll, M.; Sundmacher, K.: Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilution. Digital Discovery 2 (3), pp. 781 - 798 (2023)

MPG.PuRe

Journal Article

Savchenko, M. O.; Skrypnik, I. I.; Yevgenieva, Y.: Continuity and Harnack Inequalities for Local Minimizers of Non Uniformly Elliptic Functionals with Generalized Orlicz Growth under the Non-logarithmic Conditions. Nonlinear Analysis, Theory, Methods and Applications 230, 113221 (2023)

MPG.PuRe

Journal Article

Song, Z.; Chen, J.; Qin, H.; Qi, Z.; Sundmacher, K.: Extending UNIFAC models for solid-liquid equilibria prediction and design of eutectic solvent systems. Chemical Engineering Science 281, 119097 (2023)

MPG.PuRe

Journal Article

Sorrentino, A.; Patel, B.; Gosea, I. V.; Antoulas, A. C.; Vidaković-Koch, T.: Determination of the distribution of relaxation times through Loewner framework: A direct and versatile approach. Journal of Power Sources 585, 233575 (2023)

MPG.PuRe

Journal Article

Tan, Q.; Hosseini, S.A.; Seidel-Morgenstern, A.; Thévenin, D.; Lorenz, H.: Mandelic Acid Single-Crystal Growth: Experiments VS Numerical Simulations. Communications in Computational Physics 33, pp. 77 - 100 (2023)

MPG.PuRe

Journal Article

Tenberg, V.; Hokmabadi, M.; Seidel-Morgenstern, A.; Lorenz, H.; Sadeghi, M.: Investigation of the Antisolvent Effect on the Phase Behavior of Amino Acid Solid Solutions. Industrial & Engineering Chemistry Research 62 (1), pp. 753 - 761 (2023)

MPG.PuRe

Journal Article

Tenberg, V.; Stein, M.; Lorenz, H.: Solid Phase and Stability Investigation of a Co-Crystal in the l-Valine/l-Leucine System. Crystals 13 (11), 1542 (2023)

MPG.PuRe

Journal Article

Torchio, R.; Lucchini, F.; Filippini, M.; Romano, D.; Feng, L.; Benner, P.; Antonini, G.: A Reduced Order Modelling Approach for Full-Maxwell Lightning Strike Analyses in Layered Backgrounds. IEEE Transactions on Power Delivery 38 (3), pp. 1949 - 1957 (2023)

MPG.PuRe