Publications IMPRS ProEng

Benner, P.; Goyal, P. K.: Balanced Truncation Model Order Reduction For Quadratic-Bilinear Control Systems. Advances in Computational Mathematics 50, 88 (2024)

Bhandari, S.; Lorenz, H.; Seidel-Morgenstern, A.: Shortcut model to evaluate the performance of continuous preferential crystallization for conglomerates forming chiral systems. Chemical Engineering Science 299, 120539 (2024)

Bhaskaran, S.; Miličić, T.; Vidaković-Koch, T.; Kumar Surasani , V.; Tsotsas, E.; Vorhauer-Huget, N.: Model PEM water electrolyzer cell for studies of periodically alternating drainage/imbibition cycles. International Journal of Hydrogen Energy 77, pp. 1432 - 1442 (2024)

Espinel-Rios, S.; Behrendt, G.; Bauer, J.; Morabito, B.; Pohlodek, J.; Schütze, A.; Findeisen, R.; Bettenbrock, K.; Klamt, S.: Experimentally implemented dynamic optogenetic optimization of ATPase expression using knowledge-based and Gaussian-process-supported models. Process Biochemistry (143), pp. 174 - 185 (2024)

Espinel-Rios, S.; Morabito, B.; Pohlodek, J.; Bettenbrock, K.; Klamt, S.; Findeisen, R.: Toward a modeling, optimization, and predictive control framework for fed-batch metabolic cybergenetics. Biotechnology and Bioengineering 121 (1), pp. 366 - 379 (2024)

Huber, N.; Alcalá Orozco, E. A.; Rexer, T.; Reichl, U.; Klamt, S.: Model-based optimization of cell-free enzyme cascades exemplified for the production of GDP-fucose. Metabolic Engineering 81, pp. 10 - 25 (2024)

König-Mattern, L.; Sanchez Medina, E. I.; Komarova, A. O.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J. S.; Sundmacher, K.: Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading. Chemical Engineering Journal 495, 153524 (2024)

Miličić, T.; Muthunayakage, K.; Vũ, T. H.; Ritschel, T. K.S.; Živković, L. A.; Vidaković-Koch, T.: The nonlinear frequency response method for the diagnosis of PEM water electrolyzer performance. Chemical Engineering Journal 496, 153889 (2024)

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Effect of feed concentration in solvent/anti-solvent precipitation fractionation of lignin: Impact on lignins structure-property correlations. Separation and Purification Technology 337, 126343 (2024)

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Corrigendum to “Effect of feed concentration in solvent/anti-solvent precipitation fractionation of lignin: Impact on lignins structure-property correlations” [Sep. Purif. Technol. 337 (2024) 126343]. Separation and Purification Technology 345, 128114 (2024)

Vhora, K.; Thévenin, D.; Janiga, G.; Sundmacher, K.: CFD Analysis of the Flow in Schwarz‐D TPMS Structures for Engineering Applications. Chemie Ingenieur Technik 96, pp. 1683 - 1696 (2024)

Kay, S.; Sanchez Medina, E. I.; Sundmacher, K.; Zhang, D.: A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 2701 - 2706 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Koka, R. L.; Findeisen, R.; Kienle, A.; Duvigneau, S.: Improving the Production of PHBV in Cupriavidus necator by Optimal Control. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 2503 - 2508 (Eds. Manenti, F.; Reklaitis, G. V.). ESCAPE34 - PSE24, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Sethi, S.; Zhang, X.; Sundmacher, K.: Rational Function-based Approach for Integrated Ionic Liquid Solvent Selection and Extractive Distillation Process Design. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1345 - 1350 (2024)

Vhora, K.; Neeraj, T.; Thévenin, D.; Janiga, G.; Sundmacher, K.: Investigating Fluid Flow Dynamics in Triply Periodic Minimal Surfaces (TPMS) Structures Using CFD Simulation. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 709 - 714 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Alcalá Orozco, E. A.; Huber, N.; Klamt, S.; Rexer, T.; Reichl, U.: A cell-free enzymatic cascade for the synthesis of GDP-fucose - modeling and optimization. 6^th MECP (Multistep Enzyme Catalyzed Processes) Congress, Vienna (Austria) (2024)

Ilter, M.; Stein, M.: Complex Activation and Catalytic Cycles of Deubiquitinylase Enzymes. 94th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Magdeburg, Germany (2024)

Kay, S.; Sanchez Medina, E. I.; Sundmacher, K.; Zhang, D.: A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. ESCAPE-34, Florence, Italy (2024)

König-Mattern, L.; Sanchez Medina, E. I.; Komarova, A. O.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J. S.; Sundmacher, K.: PSEvolve: A graph-based solvent design framework. ESCAPE34 , Florence, Italy (2024)

Miličić, T.; Muthunayakage, K.; Hoang, T. V.; Živković, L. A.; Ritschel, T. K.S.; Vidaković-Koch, T.: Diagnosis of Voltage Losses of the Proton Exchange Membrane Water Electrolyzer with Nonlinear Frequency Response Method. 245th ECS Meeting, San Francisco, USA (2024)

Miličić, T.; Živković, L. A.; Vidaković-Koch, T.: Leveraging Nonlinear Frequency Response Analysis for Better Understanding of PEM Water Electrolysis Dynamics. Electrochemistry 2024, Braunschweig, Germany (2024)

Patel, B.; Sorrentino, A.; Gosea, I. V.; Antoulas, A.; Vidaković-Koch, T.: Extracting the Distribution of Relaxation Times Directly from Impedance Data through the Loewner Framework. 17th International Workshop on Impedance Spectroscopy, Chemnitz, Germany (2024)

Patel, B.; Sorrentino, A.; Gosea, I. V.; Vidaković-Koch, T.; Antoulas, A. C.: Distribution of Relaxation Times Analysis of PEMFC through Loewner Framework: A Direct and Regularization Free Approach. 245th ECS Meeting, San Francisco, USA (2024)

Sanchez Medina, E. I.; Minor, A.-J.; Sundmacher, K.: A Comparison of the UNIFAC Model vs. Graph Neural Network-based Models for the Prediction of Binary Vapor-Liquid Equilibria. 33rd European Symposium on Applied Thermodynamics 2024, Edinburgh, UK (2024)

Vidaković-Koch, T.; Miličić, T.; Sivasankaran, M.; Sorrentino, A.; Živković, L. A.: Understanding Nonlinear Dynamics of Electrochemical Processes: Selectivity and Energy Efficiency. 75th ISE Annual Meeting, Montreal, Canada (2024)

Elmaci, D. N.; Hopping, G.; Muttenthaller, M.; Stein, M.: The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1. 60th Symposium on Theoretical Chemistry, Brunswig, Germany (2024)

Elmaci, D. N.; Stein, M.: The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

Goldhahn, R.; Minor, A.-J.; Rihko-Struckmann, L.; Sundmacher, K.: Facilitating the depolymerization of polyamide 6 (PA6) by ultrasound and microwave assistance using CaCl2-EtOH-H2O mixture for polymer dissolution. ISCRE 28: International Symposium on Chemical Reaction Engineering 2024 , Turku, Finland (2024)

Griehl, C.; Sanchez Medina, E. I.; Sundmacher, K.: BOHO CAT - Bayesian Optimization for Low Throughput Ligand Selection in Homogeneous Catalysis. Cambridge ELLIS Unit Summer School 2024, Cambridge, UK (2024)

Griehl, C.; Sanchez Medina, E. I.; Sundmacher, K.: Rapid phosphine ligand discovery in homogeneous catalysis: Bayesian optimization approach for low-throughput experimentation. CHISA 2024, Prague, Czech Republic (2024)

Ilter, M.; Escorcia Cabrera, A. M.; Stein, M.: Exploration of the Chemical Reaction Space of Cezanne-2 through MD and QM/MM. CCSC 2024 – Chemical Compound Space Conference, Heidelberg, Germany (2024)

Ilter, M.; Escorcia Cabrera, A. M.; Stein, M.: Unveiling the Catalytic Mechanism of Cezanne-2: Insights from MD and QM/MM Simulations. 60th Symposium on Theoretical Chemistry, Brunswig, Germany (2024)

Ilter, M.; Schulze-Niemand, E.; Stein, M.: Exploring the Multi-Stage Catalytic Cycle of Cezanne-1 through MD Simulations. 36th Molecular Modelling Workshop, Erlangen, Germany (2024)

König-Mattern, L.; Sanchez Medina, E. I.; Rihko-Struckmann, L.; Sundmacher, K.: Machine learning-based solvent screening for lignocellulose biorefineries and lignin upgrading. BioSPRINT Spring School: Opportunities and challenges of process intensification application in lignocellulosic biorefineries, Frankfurt am Main, Germany (2024)

Lamkowski, L.; Gutierrez, M.; Lorenz, H.: Characterization and Selective Crystallization of Curcuminoids. 29th BIWIC – International Workshop on Industrial Crystallization, Delft, The Netherlands (2024)

Miličić, T.; Hoang, , T. V.; Muthunayakage, K.; Živković, L. A.; Ritschel, T. K.S.; Vidaković-Koch, T.: Nonlinear Frequency Response Analysis for the Proton Exchange Membrane Water Electrolysis Model Validation. ModVal 2024 - 20th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies, Baden, Switzerland (2024)

Otrin, N.; Hammer, M.; Huang, W.; Bednarz, C.; Otrin, L.; Sundmacher, K.: Enzyme reconstitution into PMOXA-PDMS-PMOXA-based biomimetic vesicles. SynCell2024 International Conference on Engineering Synthetic Cells and Organelles, Toulouse, France (2024)

Peterson, L.; Sanchez Medina, E. I.; Khalid, M. M.; Sundmacher, K.: Surrogate modeling of dynamical systems: deep learning or model-order reduction? ECML 2024 (ML4CCE workshop), Vilnius, Lithuania (2024)

Sethi, S.; Zhang, X.; Sundmacher, K.: Rational function-based approach for integrated ionic liquids solvent selection and process design for efficient extractive distillation. 34th Eu­ro­pean Sym­po­si­um on Com­pu­ter-Ai­ded Pro­cess En­gi­nee­ring (ES­CAPE-34), Florence, Italy (2024)

Sanchez Medina, E. I.: Hybrid Graph Neural Networks for the prediction of activity coefficients in separation processes. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2024)

Bhandari, S.: Shortcut Model to Evaluate the Performance of Preferential Crystallization for Conglomerates Forming Chiral Systems. Dissertation, Otto-von-Guericke Universität, Magdeburg (2024)

Hayat, A.: Forced Periodic Non-isothermal Operation of Chromatographic Columns. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2024)