Publications of the Max Planck Institute

Journal Article (2066)

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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Chai, S.; Song, Z.; Zhou, T.; Zhang, L.; Qi, Z.: Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 35, 100732 (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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Keßler, T.; Kunde, C.; Linke, S.; Sundmacher, K.; Kienle, A.: Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 249, 117243 (2022)
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Nikolić, D.; Seidel, C.; Felischak, M.; Miličić, T.; Kienle, A.; Seidel-Morgenstern, A.; Petkovska, M.: Forced periodic operations of a chemical reactor for methanol synthesis – The search for the best scenario based on Nonlinear Frequency Response Method. Part II Simultaneous modulation of two inputs. Chemical Engineering Science 248, 117133 (2022)
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Nikolić, D.; Seidel, C.; Felischak, M.; Miličić, T.; Kienle, A.; Seidel-Morgenstern, A.; Petkovska, M.: Forced periodic operations of a chemical reactor for methanol synthesis – The search for the best scenario based on Nonlinear Frequency Response Method. Part I Single input modulations. Chemical Engineering Science 248, 117134 (2022)
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Roy, N.; Dürr, R.; Bück, A.; Kumar, J.; Sundar, S.: Numerical methods for particle agglomeration and breakage in lid-driven cavity flows at low Reynolds numbers. Mathematics and Computers in Simulation (192), pp. 33 - 49 (2022)
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Schlüter, D.; Schulze-Niemand, E.; Stein, M.; Naumann, M.: Ovarian tumor domain proteases in pathogen infection. Trends in Microbiology 30 (1), pp. 22 - 33 (2022)
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Tenberg, V.; Sadeghi, M.; Seidel-Morgenstern, A.; Lorenz, H.: Bypassing thermodynamic limitations in the Crystallization-based separation of solid solutions. Separation and Purification Technology 283, 120169 (2022)
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Tian, T.; Liu, M.; Li, Y.; Han, J.; Ren, L.; Lorenz, H.; Wu, Q.; Chen, J.: β-Cyclodextrin carbon-based nanoparticles with a core–shell–shell structure for efficient adsorption of crystal violet and bisphenol A. Particuology 62, pp. 88 - 97 (2022)
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Wen, H.; Su, Y.; Wang, Z.; Jin, S.; Ren, J.; Shen, W.; Eden, M.: A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints. AIChE Journal 68 (1), 17402 (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
Journal Article
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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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)
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Alvarado Perea, L.; Felischak, M.; Wolff, T.; López Gaona, J. A.; Hamel, C.; Seidel-Morgenstern, A.: Propene production at low temperature by bimetallic Ni-Mo and Ni-Re catalysts on mesoporous MCM-41 prepared using template ion exchange. Fuel 284, 119031 (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)
Journal Article
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.; Dufrechou, E.; Ezzatti, P.; Gallardo, R.; Quintana-Ortí, E.: Factorized Solution of Generalized Stable Sylvester Equations Using Many-Core GPU Accelerators. Journal of Supercomputing 77, pp. 10152 - 10164 (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)
Journal Article
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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Brune, A.; Geschke, A.; Seidel-Morgenstern, A.; Hamel, C.: Modeling and Simulation of Catalyst Deactivation and Regeneration Cycles for Propane Dehydrogenation - Comparison of Different Modeling Approaches. Chemical Engineering and Processing - Process Intensification, 108689 (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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Chen, G.; Song, Z.; Qi, Z.: Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 246, 117002 (2021)
Journal Article
Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal 67 (4), e17171 (2021)
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