Publications PSE group
Journal Article (32)
2021
Journal Article
10 (6), pp. 1490 - 1504 (2021)
Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology
Journal Article
365, 137282 (2021)
Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta
Journal Article
8, 549298 (2021)
Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research
Journal Article
246, 117002 (2021)
Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science
Journal Article
67 (4), e17171 (2021)
Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal
Journal Article
413, 127469 (2021)
Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study. Chemical Engineering Journal
Journal Article
12, pp. 287 - 308 (2021)
Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering
Journal Article
23, pp. 10014 - 10029 (2021)
Computer-aided solvent screening for the fractionation of wet microalgae biomass. Green Chemistry
Journal Article
33, pp. 1435 - 1445 (2021)
β-Carotene extraction from Dunaliella salina by supercritical CO2. Journal of Applied Phycology
Journal Article
9, 720489 (2021)
Power-to-Syngas: A Parareal Optimal Control Approach. Frontiers in Energy Research
Journal Article
13 (17), 9505 (2021)
Integrated Cycles for Urban Biomass as a Strategy to Promote a CO2-Neutral Society—A Feasibility Study. Sustainability
Journal Article
12, 4972 (2021)
En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nature Communications
Journal Article
9 (7), pp. 2705 - 2716 (2021)
A Hierarchical Hybrid Method for Screening Ionic Liquid Solvents for Extractions Exemplified by the Extractive Desulfurization Process. ACS Sustainable Chemistry & Engineering
Journal Article
60 (48), pp. 17761 - 17777 (2021)
Comprehensive Evaluation of COSMO-RS for Predicting Ternary and Binary Ionic Liquid-Containing Vapor–Liquid Equilibria. Industrial & Engineering Chemistry Research
Journal Article
93 (3), pp. 345 - 352 (2021)
Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik
Journal Article
15 (10), pp. 15656 - 15666 (2021)
Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells. ACS Nano
Journal Article
6 (3), pp. 392 - 404 (2021)
Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment
Journal Article
15, pp. 49 - 59 (2021)
Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering
Journal Article
6 (3), pp. 371 - 379 (2021)
Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment
Journal Article
390, 138788 (2021)
Decoupling oxygen and water transport dynamics in polymer electrolyte membrane fuel cells through frequency response methods based on partial pressure perturbations. Electrochimica Acta
Journal Article
10, e73556 (2021)
Building a community to engineer synthetic cells and organelles from the bottom-up. eLife
Journal Article
81 (7), pp. 1499 - 1514 (2021)
Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell
Journal Article
151, 107340 (2021)
Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering
Journal Article
32 (5), pp. 897 - 903 (2021)
Scale up of Transmembrane NADH Oxidation in Synthetic Giant Vesicles. Bioconjugate Chemistry
Journal Article
9 (1), 65 (2021)
Machine Learning for Ionic Liquid Toxicity Prediction. Processes
Journal Article
306, 121767 (2021)
Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewater. Fuel
Journal Article
164, 105905 (2021)
Exploring the systemic delivery of a poorly water-soluble model drug to the retina using PLGA nanoparticles. European Journal of Pharmaceutical Sciences
Journal Article
67 (10), 17340 (2021)
Integrated Ionic Liquid and Rate‐Based Absorption Process Design for Gas Separation: Global Optimization Using Hybrid Models. AIChE Journal
Journal Article
60 (27), pp. 9992 - 10000 (2021)
Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification. Industrial & Engineering Chemistry Research
Journal Article
67 (1), e17064 (2021)
Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics. AIChE Journal
Journal Article
7 (9), pp. 1231 - 1238 (2021)
Hybrid data-driven and mechanistic modeling approaches for multiscale material and process design. Engineering
Journal Article
229, 116076 (2021)
Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture. Chemical Engineering Science Book Chapter (1)
2021
Book Chapter
Power-to-Chemicals: A Superstructure Problem for Sustainable Syngas Production. In: Mathematical Modeling, Simulation and Optimization for Power Engineering and Management, pp. 145 - 168 (Eds. Göttlich, S.; Herty, M.; Milde, A.) (2021)
Conference Paper (7)
2021
Conference Paper
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)
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.
Conference Paper
54 (3), pp. 122 - 127 (2021)
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
Conference Paper
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)
Conference Paper
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)
Conference Paper
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)
Conference Paper
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)
Conference Paper
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)
Talk (14)
2021
Talk
Influence of Preparation Method on Structure, Reducibility and Activity of Ni-based CO2 Methanation Catalysts. 18th International Conference on Carbon Dioxide Utilization (ICCDU 2021), Virtual (2021)
Talk
Nonintrusive Time Galerkin POD for Optimal Control of a Fixed-Bed Reactor for CO2 Methanation. ADCHEM 2021, Virtual (2021)
Talk
Novel Multiplicity and Stability Criteria for Polytropic Fixed-Bed Reactors. ISCRE-26 & APCRE 9, Virtual (2021)
Talk
New Insights on Fixed-Bed Reactor Dynamics via Real-Time Distributed Temperature Sensing. Annual Meeting on Reaction Engineering (Jahrestreffen Reaktionstechnik), Virtual (2021)
Talk
Helically Coiled Tubular Reactor for the Hydroformylation of 1-Dodecene: Operation, Characterization and Limitations. ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, Berlin, Virtual (2021)
Talk
Computational Solvent Screening for Efficient Microalgal-based Biorefineries exemplified by Phaeodactylum tricornutum. International Conference on Algal Biomass, Biofuels and Bioproducts (AlgalBBB 2021), Virtual (2021)
Talk
Computational Solvent Screening for the Fractionation of Wet Microalgal Biomass Exemplified by Phaeodactylum tricornutum. ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, Berlin, Virtual (2021)
Talk
Artificial Mitochondrion, Bottom-up! SYNCELL 2021: International Conference on Engineering Synthetic Cells and Organelles, Virtual (2021)
Talk
Multi-Objective Bayesian optimization of process flowsheets using trust regions and quality set metrics. 2021 AIChE Annual Meeting, Virtual (2021)
Talk
Computer-Aided Molecular Design of Ionic Liquid Phase Change Material (IL-PCM) for Efficient Thermal Energy Storage. 31st European Symposium on Computer-Aided Process Engineering (ESCAPE-31) , Istanbul, Turkey (2021)