Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics M Heier, S Stephan, J Liu, WG Chapman, H Hasse, K Langenbach Molecular Physics 116 (15-16), 2083-2094, 2018 | 34 | 2018 |

Phase diagrams for systems containing hyperbranched polymers S Enders, K Langenbach, P Schrader, T Zeiner Polymers 4 (1), 72-115, 2012 | 33 | 2012 |

Interfacial and bulk properties of vapor-liquid equilibria in the system toluene+ hydrogen chloride+ carbon dioxide by molecular simulation and density gradient theory+ PC-SAFT S Werth, M Kohns, K Langenbach, M Heilig, M Horsch, H Hasse Fluid Phase Equilibria 427, 219-230, 2016 | 28 | 2016 |

Vapor− Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory S Stephan, J Liu, K Langenbach, WG Chapman, H Hasse The Journal of Physical Chemistry C 122 (43), 24705-24715, 2018 | 26 | 2018 |

Calculation of the high pressure phase equilibrium in hyperbranched polymer systems with the lattice-cluster theory K Langenbach, S Enders, C Browarzik, D Browarzik The Journal of Chemical Thermodynamics 59, 107-113, 2013 | 26 | 2013 |

Multi‐criteria optimization for parameterization of SAFT‐type equations of state for water E Forte, J Burger, K Langenbach, H Hasse, M Bortz AIChE Journal 64 (1), 226-237, 2018 | 24 | 2018 |

Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory S Becker, S Werth, M Horsch, K Langenbach, H Hasse Fluid Phase Equilibria 427, 476-487, 2016 | 24 | 2016 |

Development of an EOS based on lattice cluster theory for pure components K Langenbach, S Enders Fluid Phase Equilibria 331, 58-79, 2012 | 23 | 2012 |

Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory S Stephan, K Langenbach, H Hasse The Journal of chemical physics 150 (17), 174704, 2019 | 21 | 2019 |

Modeling of the branching influence on liquid–liquid equilibrium of binary and ternary polymer solutions by lattice–cluster theory D Browarzik, K Langenbach, S Enders, C Browarzik The Journal of Chemical Thermodynamics 62, 56-63, 2013 | 20 | 2013 |

New formulation of the lattice cluster theory equation of state for multi-component systems K Langenbach, D Browarzik, J Sailer, S Enders Fluid Phase Equilibria 362, 196-212, 2014 | 17 | 2014 |

Enrichment of Components at Vapour-Liquid Interfaces: A Study by Molecular Simulation and Density Gradient Theory S Stephan, K Langenbach, H Hasse Chemical Engineering Transactions 69, 295-300, 2018 | 11 | 2018 |

Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors F Diewald, C Kuhn, M Heier, K Langenbach, M Horsch, H Hasse, R Müller Computational Materials Science 141, 185-192, 2018 | 11 | 2018 |

Cross-association of multi-component systems K Langenbach, S Enders Molecular Physics 110 (11-12), 1249-1260, 2012 | 11 | 2012 |

Influence of different alcohols on the swelling behaviour of hydrogels D Althans, K Langenbach, S Enders Molecular Physics 110 (11-12), 1391-1402, 2012 | 11 | 2012 |

Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) K Langenbach Chemical Engineering Science 174, 40-55, 2017 | 9 | 2017 |

Solubility of Carbon Dioxide in Poly (oxymethylene) Dimethyl Ethers M Schappals, T Breug-Nissen, K Langenbach, J Burger, H Hasse Journal of Chemical & Engineering Data 62 (11), 4027-4031, 2017 | 9 | 2017 |

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory K Langenbach, M Heilig, M Horsch, H Hasse The Journal of Chemical Physics 148 (12), 124702, 2018 | 8 | 2018 |

Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient F Diewald, MP Lautenschlaeger, S Stephan, K Langenbach, C Kuhn, ... Computer Methods in Applied Mechanics and Engineering 361, 112773, 2020 | 7 | 2020 |

SkaSim–Scalable HPC Software for Molecular Simulation in the Chemical Industry J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... Chemie Ingenieur Technik 90 (3), 295-306, 2018 | 7* | 2018 |