Publications IMPRS
Journal Article (340)
2023
Journal Article
Inf-Sup-Constant-Free State Error Estimator for Model Order Reduction of Parametric Systems in Electromagnetics. IEEE Transactions on Microwave Theory and Techniques (accepted)
Journal Article
63 (7), pp. 2084 - 2094 (2023)
Structural Dynamics of Lys11-Selective Deubiquitinylase Cezanne-1 during the Catalytic Cycle. Journal of Chemical Information and Modeling
Journal Article
452, 139476 (2023)
High-throughput computational solvent screening for lignocellulosic biomass processing. Chemical Engineering Journal
Journal Article
Experimental investigation of the residence time distribution in a screw-type apparatus designated to extract artemisinin. Chemical Engineering and Processing - Process Intensification, 109337 (2023)
Journal Article
11 (2), pp. 766 - 776 (2023)
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
Journal Article
457, 140921 (2023)
Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal 2022
Journal Article
14 (15), e202200288 (2022)
Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem
Journal Article
1665, 462831 (2022)
Analysis and experimental demonstration of temperature step gradients in preparative liquid chromatography. Journal of Chromatography A
Journal Article
22 (7), pp. 4094 - 4104 (2022)
Shortcut Model for Batch Preferential Crystallization Coupled with Racemization for Conglomerate-Forming Chiral Systems. Crystal Growth & Design
Journal Article
40 (4), pp. 735 - 747 (2022)
Study on film effects during isothermal drying of square capillary tube using Lattice Boltzmann method. Drying Technology
Journal Article
47 (74), pp. 31551 - 31565 (2022)
LBM studies at pore scale for graded anodic porous transport layer (PTL) of PEM water electrolyzer. International Journal of Hydrogen Energy
Journal Article
70 (11), pp. 5172 - 5184 (2022)
Fast A Posteriori State Error Estimation for Reliable Frequency Sweeping in Microwave Circuits via the Reduced-Basis Method. IEEE Transactions on Microwave Theory and Techniques
Journal Article
24, pp. 410 - 437 (2022)
Sustainability of green solvents – review and perspective. Green Chemistry
Journal Article
249, 117243 (2022)
Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science
Journal Article
10 (11), 2417 (2022)
Modeling and Analysis of Mass Transport Losses of Proton Exchange Membrane Water Electrolyzer. Processes
Journal Article
248, 117134 (2022)
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
Journal Article
1 (3), pp. 216 - 225 (2022)
Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery
Journal Article
90 (4), pp. 947 - 958 (2022)
Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics
Journal Article
444, 136651 (2022)
Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal
Journal Article
160, 107739 (2022)
Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering
Journal Article
14 (8), e202101878 (2022)
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem
Journal Article
184, pp. 39 - 58 (2022)
Quo vadis multiscale modeling in reaction engineering? – A perspective. Chemical Engineering Research and Design
Journal Article
259, 117801 (2022)
A neural recommender system for efficient adsorbent screening. Chemical Engineering Science
Journal Article
428, 130771 (2022)
Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 2021
Journal Article
106, pp. 453 - 469 (2021)
Direct Numerical Simulation of Turbulent Spray Combustion in the SpraySyn Burner: Impact of Injector Geometry. Flow, Turbulence and Combustion
Journal Article
365, 137282 (2021)
Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta
Journal Article
43 (1), pp. A415 - A445 (2021)
Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing
Journal Article
84, pp. 1001 - 1054 (2021)
A Stochastic Maximum Principle for Control Problems Constrained by the Stochastic Navier-Stokes Equations. Applied Mathematics and Optimization
Journal Article
89, 63, 34 pages (2021)
A Training Set Subsampling Strategy for the Reduced Basis Method. Journal of Scientific Computing
Journal Article
226, pp. 467 - 477 (2021)
On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion. Combustion and Flame
Journal Article
9 (11), 1990 (2021)
Multi-rate data fusion for state and parameter estimation in (Bio-)chemical process engineering. Processes
Journal Article
105, pp. 4743 - 4749 (2021)
Fast, inexpensive, and reliable HPLC method to determine monomer fractions in poly(3-hydroxybutyrate-co-3-hydroxyvalerate). Applied Microbiology and Biotechnology
Journal Article
23, pp. 10014 - 10029 (2021)
Computer-aided solvent screening for the fractionation of wet microalgae biomass. Green Chemistry
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
46 (44), pp. 22747 - 22762 (2021)
Lattice Boltzmann method to study the water-oxygen distributions in porous transport layer (PTL) of polymer electrolyte membrane (PEM) electrolyser. International Journal of Hydrogen Energy
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
343, 117503 (2021)
Solubility analysis of pharmaceuticals guaifenesin, ketoprofen, and artemisinin in different solvents. Journal of Molecular Liquids
Journal Article
11, pp. 641 - 659 (2021)
Kinetic analysis of the partial synthesis of artemisinin: Photooxygenation to the intermediate hydroperoxide. Journal of Flow Chemistry
Journal Article
151, 107340 (2021)
Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering 2020
Journal Article
8, 362 (2020)
Steady-State Water Drainage by Oxygen in Anodic Porous Transport Layer of Electrolyzers: A 2D Pore Network Study. Processes
Journal Article
56 (8), pp. 2515 - 2527 (2020)
Precise determination of LJ parameters and Eucken correction factors for a more accurate modeling of transport properties in gases. Heat and Mass Transfer
Journal Article
167, 013537 (2020)
Model-Based Analysis of the Limiting Mechanisms in the Gas-Phase Oxidation of HCl Employing an Oxygen Depolarized Cathode. Journal of the Electrochemical Society
Journal Article
26, 62, 32 pages (2020)
Optimal Distributed and Tangential Boundary Control for the Unsteady Stochastic Stokes Equations. ESAIM: Control, Optimisation and Calculus of Variations
Journal Article
43 (2), pp. 329 - 336 (2020)
Exploiting Ternary Solubility Phase Diagrams for Resolution of Enantiomers: An Instructive Example. Chemical Engineering and Technology
Journal Article
24 (1), pp. 50 - 58 (2020)
Efficient resolution of racemic guaifenesin via batch preferential crystallization processes. Organic Process Research & Development
Journal Article
8 (1), 38 (2020)
Optimisation of the Autothermal NH3 Production Process for Power-to-Ammonia. Processes
Journal Article
121 (23), pp. 5320 - 5349 (2020)
Adaptive Basis Construction and Improved Error Estimation for Parametric Nonlinear Dynamical Systems. International Journal for Numerical Methods in Engineering: Special Issue: Credible High-Fidelity and Low-Cost Simulations in Computational Engineering
Journal Article
8, 1316 (2020)
Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method. Processes
Journal Article
404, 109122 (2020)
A directional ghost-cell immersed boundary method for incompressible flows. Journal of Computational Physics
Journal Article
21 (7), pp. 1007 - 1021 (2020)
Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein - Recognition Comes in Different Flavors. ChemBioChem: A European Journal of Chemical Biology