Publications of Kai Sundmacher

Zhou, T.; Wang, Z.; Sundmacher, K.: A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage. In: 14th International Symposium on Process Systems Engineering:, pp. 1807 - 1812 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021+, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Optimal Catalyst-Reactor Design for Load-Flexible CO2 Methanation by Multi-Period Design Optimization. In: 14th International Symposium on Process Systems Engineering:, pp. 841 - 846 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021 +, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)

Balasbas III, S.; Ivanov, I.; Sundmacher, K.: Metabolic Network Reconstruction from Time-Series of Concentration Data: Evaluation of the Numerical Matrices Methods. In: 31st European Symposium on Computer Aided Process Engineering, Vol. 50, pp. 1991 - 1996 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Bremer, J.; Heiland, J.; Benner, P.; Sundmacher, K.: Non-intrusive Time Galerkin POD for Optimal Control of a Fixed-Bed Reactor for CO₂ Methanation. 16th IFAC Symposium on Advanced Control of Chemical Processes - ADCHEM 2021, Venice, Italy, June 13, 2021 - June 16, 2021. IFAC-PapersOnLine 54 (3), pp. 122 - 127 (2021)

Sanchez Medina, E. I.; Linke, S.; Sundmacher, K.: Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks. In: 31st European Symposium on Computer Aided Process Engineering, pp. 991 - 997 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Sanchez Medina, E. I.; Vallejo, D. R.; Chachuat, B.; Sundmacher, K.; Petsagkourakis, P.; del Rio-Chanona, E.A.: Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression. In: 31st European Symposium on Computer Aided Process Engineering, pp. 1117 - 1123 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Song, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate. In: 31st European Symposium on Computer Aided Process Engineering, pp. 341 - 346 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zhou, T.; Shi, H.; Sundmacher, K.: Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage. In: 31st European Symposium on Computer Aided Process Engineering, pp. 191 - 196 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction. In: 31st European Symposium on Computer Aided Process Engineering, pp. 947 - 952 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Keßler, T.; Kunde, C.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A.: Computer Aided Molecular Design of Green Solvents for the Hydroformylation of Long-Chain Olefines. ESCAPE 30, Virtual Symposium, August 31, 2020 - September 02, 2020. 30th European Symposium on Computer Aided Process Engineering: Computer Aided Chemical Engineering, pp. 745 - 750 (2020)

Maggi, A.; Wenzel, M.; Sundmacher, K.: Power-to-Syngas Processes by Reactor-Separator Superstructure Optimization. In: 30th European Symposium on Computer Aided Process Engineering, pp. 1387 - 1392. ESCAPE 30, Virtual Symposium, August 31, 2020 - September 02, 2020. Elsevier B.V. (2020)

Matschek, J.; Himmel, A.; Sundmacher, K.; Findeisen, R.: Constrained Gaussian Process Learning for Model Predictive Control. 21th IFAC World Congress, Virtual, July 11, 2020 - July 17, 2020. IFAC-PapersOnLine 53 (2), pp. 971 - 976 (2020)

Zhou, Y.; Zhou, T.; Sundmacher, K.: In silico Screening of Metal-organic Frameworks for Acetylene/ethylene Separation. In: 30th European Symposium on Computer Aided Process Engineering, pp. 895 - 900. ESCAPE 30 , Virtual Symposium, August 31, 2020 - September 02, 2020. Elsevier B.V. (2020)

Bechtel, S.; Song, Z.; Zhou, T.; Vidaković-Koch, T.; Sundmacher, K.: Integrated Process and Ionic Liquid Design by Combining Flowsheet Simulation with Quantum-Chemical Solvent Screening. In: 13th International Symposium on Process Systems Engineering (PSE 2018), pp. 2167 - 2172. 13th International Symposium on Process Systems Engineering (PSE 2018), San Diego, USA, July 01, 2018 - July 05, 2018. (2018)

Liesche, G.; Schack, D.; Rätze, K.; Sundmacher, K.: Thermodynamic Network Flow Approach for Chemical Process Synthesis. In: 28th European Symposium on Computer Aided Process Engineering, pp. 881 - 886. 28th European Symposium on Computer Aided Process Engineering, Graz, Austria, June 10, 2018 - June 13, 2018. Elsevier B.V. (2018)

McBride, K.; Linke, S.; Xu, S.; Sundmacher, K.: Computer Aided Design of Green Thermomorphic Solvent Systems for Homogeneous Catalyst Recovery. In: 13th International Symposium on Process Systems Engineering (PSE 2018), pp. 1783 - 1788. 13th International Symposium on Process Systems Engineering (PSE 2018), San Diego, USA, July 01, 2018 - July 05, 2018. (2018)

Aydin, E.; Bonvin, D.; Sundmacher, K.: Dynamic Optimization of Constrained Semi-Batch Processes using Pontryagin’s Minimum Principle and Parsimonious Parameterization. In: 27th European Symposium on Computer Aided Process Engineering, pp. 2041 - 2046. 27th European Symposium on Computer Aided Process Engineering, Barcelona, Spain, October 01, 2017 - October 05, 2017. Elsevier (2017)

Himmel, A.; Sager, S.; Sundmacher, K.: Set point tracking of a biogas plant coupled to a methanation reactor. In: 27th European Symposium on Computer Aided Process Engineering, pp. 1645 - 1650. 27th European Symposium on Computer Aided Process Engineering, Barcelona, Spain, October 01, 2017 - October 05, 2017. Elsevier (2017)

Rätze, K.; Bremer, J.; Biegler, L. T.; Sundmacher, K.: Physics-Based Surrogate Models for Optimal Control of a CO₂ Methanation Reactor. In: 27th European Symposium on Computer Aided Process Engineering, pp. 127 - 132. 27th European Symposium on Computer Aided Process Engineering, Barcelona, Spain, October 01, 2017 - October 05, 2017. (2017)

Schack, D.; Rihko-Struckmann, L.; Sundmacher, K.: Economic linear objective function approach for structure optimization of renewables-to-chemicals (R2Chem) networks. In: 27th European Symposium on Computer Aided Process Engineering, pp. 1975 - 1980. 27th European Symposium on Computer Aided Process Engineering. Elsevier (2017)