Equilibrium and rate-based approaches to liquid-liquid phase splitting calculations. - Frank Steyer; Dietrich Flockerzi; Kai Sundmacher (Comput. Chem. Eng., 2005)

Computer aided design of reactive distillation processes for the treatment of waste waters polluted with acetic acid. - Jignesh Gangadwala; Gabriel Radulescu; Achim Kienle; Kai Sundmacher (Comput. Chem. Eng., 2007)

H-matrix methods for linear and quasi-linear integral operators appearing in population balances. - Jürgen Koch; Wolfgang Hackbusch; Kai Sundmacher (Comput. Chem. Eng., 2007)

H-matrix methods for quadratic integral operators appearing in population balances. - Jürgen Koch; Wolfgang Hackbusch; Kai Sundmacher (Comput. Chem. Eng., 2008)

Time Dependent Virus Replication in Cell Cultures. - Juan G. Díaz Ochoa; Andreas Voigt; Heiko Briesen; Kai Sundmacher (Complex (1), 2009)

Dynamics of reactive distillation processes with potential liquid phase splitting based on equilibrium stage models. - Gabriel Radulescu; Jignesh Gangadwala; Nicolae Paraschiv; Achim Kienle; Kai Sundmacher (Comput. Chem. Eng., 2009)

TRANSWESD: inferring cellular networks with transitive reduction. - Steffen Klamt; Robert J. Flassig; Kai Sundmacher (Bioinform., 2010)

Dimension reduction of bivariate population balances using the quadrature method of moments. - Wolfram Heineken; Dietrich Flockerzi; Andreas Voigt; Kai Sundmacher (Comput. Chem. Eng., 2011)

Dynamics of liquid-liquid systems based on linear thermodynamics of irreversible processes. - Rayees Ahamed Imam; Hannsjörg Freund; Kai Sundmacher (Comput. Chem. Eng., 2011)

Optimal design of stimulus experiments for robust discrimination of biochemical reaction networks. - Robert J. Flassig; Kai Sundmacher (Bioinform., 2012)

An effective framework for reconstructing gene regulatory networks from genetical genomics data. - Robert J. Flassig; Sandra Heise; Kai Sundmacher; Steffen Klamt (Bioinform., 2013)

Rational selection of experimental readout and intervention sites for reducing uncertainties in computational model predictions. - Robert J. Flassig; Iryna Migal; Esther der Zalm; Liisa K. Rihko-Struckmann; Kai Sundmacher (BMC Bioinform., 2015)

Approximate ODE models for population balance systems. - Naim Bajçinca; Steffen Hofmann; Dmytro Bielievtsov; Kai Sundmacher (Comput. Chem. Eng., 2015)

Fast evaluation of univariate aggregation integrals on equidistant grids. - Sabine Le Borne; Lusine Shahmuradyan; Kai Sundmacher (Comput. Chem. Eng., 2015)

Probabilistic reactor design in the framework of elementary process functions. - Nicolas M. Kaiser; Robert J. Flassig; Kai Sundmacher (Comput. Chem. Eng., 2016)

Dynamic method for computation of chemical and phase equilibria. - Alexander Zinser; Liisa K. Rihko-Struckmann; Kai Sundmacher (Comput. Chem. Eng., 2016)

Efficient simulation of intrinsic, extrinsic and external noise in biochemical systems. - Dennis Pischel; Kai Sundmacher; Robert J. Flassig (Bioinform., 2017)

Dynamic optimization of constrained semi-batch processes using Pontryagin's minimum principle - An effective quasi-Newton approach. - Erdal Aydin; Dominique Bonvin; Kai Sundmacher (Comput. Chem. Eng., 2017)

POD-DEIM for efficient reduction of a dynamic 2D catalytic reactor model. - Jens Bremer; Pawan Goyal 003; Lihong Feng; Peter Benner; Kai Sundmacher (Comput. Chem. Eng., 2017)

Estimation of aggregation kernels based on Laurent polynomial approximation. - H. Eisenschmidt; M. Soumaya; Naim Bajçinca; Sabine Le Borne; Kai Sundmacher (Comput. Chem. Eng., 2017)

Integrated reaction-extraction process for the hydroformylation of long-chain alkenes with a homogeneous catalyst. - Kevin McBride; Nicolas M. Kaiser; Kai Sundmacher (Comput. Chem. Eng., 2017)

NMPC using Pontryagin's Minimum Principle-Application to a two-phase semi-batch hydroformylation reactor under uncertainty. - Erdal Aydin; Dominique Bonvin; Kai Sundmacher (Comput. Chem. Eng., 2018)

Particle-image-velocimetry measurements in organic liquid multiphase systems for an optimal reactor design and operation. - Katharina Zähringer; Lisa-Maria Wagner; Dominique Thévenin; Patrick Siegmund; Kai Sundmacher (J. Vis., 2018)

Quantitative single cell analysis uncovers the life/death decision in CD95 network. - Jörn H. Buchbinder; Dennis Pischel; Kai Sundmacher; Robert J. Flassig; Inna N. Lavrik (PLoS Comput. Biol., 2018)

Radiation-based model reduction for the optimization of high temperature tube bundle reactors: Synthesis of hydrogen cyanide. - Georg Liesche; Kai Sundmacher (Comput. Chem. Eng., 2019)

Time-minimal set point transition for nonlinear SISO systems under different constraints. - Andreas Himmel; Sebastian Sager; Kai Sundmacher (Autom., 2020)

Reconstruction and analysis of a carbon-core metabolic network for Dunaliella salina. - Melanie Fachet; Carina Witte; Robert J. Flassig; Liisa K. Rihko-Struckmann; Zaid McKie-Krisberg; Jürgen E. W. Polle; Kai Sundmacher (BMC Bioinform., 2020)

Optimization of pressure swing adsorption via a trust-region filter algorithm and equilibrium theory. - Jennifer Uebbing; Lorenz T. Biegler; Liisa K. Rihko-Struckmann; Sebastian Sager; Kai Sundmacher (Comput. Chem. Eng., 2021)

Guest Editorial Special Issue on Deep Integration of Artificial Intelligence and Data Science for Process Manufacturing. - Feng Qian 004; Yaochu Jin; Si-Zhao Joe Qin; Kai Sundmacher (IEEE Trans. Neural Networks Learn. Syst., 2021)

Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling. - Zihao Wang; Yageng Zhou; Teng Zhou; Kai Sundmacher (Comput. Chem. Eng., 2022)

Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution. - Edgar Ivan Sanchez Medina; Steffen Linke; Martin Stoll; Kai Sundmacher (CoRR, 2022)

Learnable Adaptive and Robust Controller for a Two Particle Carbonate Precipitation Process. - Mikhail Kakanov; Sandesh Athni Hiremath; Andreas Voigt; Kai Sundmacher; Naim Bajçinca (ECC, 2024)

Challenges in data-based reactor modeling: A critical analysis of purely data-driven and hybrid models for a CSTR case study. - Luisa Peterson; Jens Bremer; Kai Sundmacher (Comput. Chem. Eng., 2024)

Learning reduced-order Quadratic-Linear models in Process Engineering using Operator Inference. - Ion Victor Gosea; Luisa Peterson; Pawan Goyal 003; Jens Bremer; Kai Sundmacher; Peter Benner (CoRR, 2024)

Application of a Temporal Multiscale Method for Efficient Simulation of Degradation in PEM Water Electrolysis under Dynamic Operation. - Dayron Chang Dominguez; An Phuc Dam; Thomas Richter 003; Kai Sundmacher; Shaun M. Alia (CoRR, 2024)

Application of a temporal multiscale method for efficient simulation of degradation in PEM Water Electrolysis under dynamic operating conditions. - Dayron Chang Dominguez; An Phuc Dam; Shaun M. Alia; Thomas Richter 003; Kai Sundmacher (Comput. Chem. Eng., 2025)

Digital twins in process engineering: An overview on computational and numerical methods. - Luisa Peterson; Ion Victor Gosea; Peter Benner; Kai Sundmacher (Comput. Chem. Eng., 2025)

An analysis of optimization problems involving ReLU neural networks. - Christoph Plate; Mirko Hahn; Alexander Klimek; Caroline Ganzer; Kai Sundmacher; Sebastian Sager (CoRR, 2025)

Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction. - Edgar Ivan Sanchez Medina; Kai Sundmacher (CoRR, 2025)