ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems C Niethammer, S Becker, M Bernreuther, M Buchholz, W Eckhardt, ... Journal of chemical theory and computation 10 (10), 4455-4464, 2014 | 161 | 2014 |
The influence of the liquid slab thickness on the planar vapor–liquid interfacial tension S Werth, SV Lishchuk, M Horsch, H Hasse Physica A: Statistical Mechanics and its Applications 392 (10), 2359-2367, 2013 | 85 | 2013 |
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 | 65 | 2016 |
Molecular modelling and simulation of the surface tension of real quadrupolar fluids S Werth, K Stöbener, P Klein, KH Küfer, M Horsch, H Hasse Chemical Engineering Science 121, 110-117, 2015 | 46 | 2015 |
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 | 44 | 2016 |
Long-range correction for multi-site Lennard-Jones models and planar interfaces S Werth, G Rutkai, J Vrabec, M Horsch, H Hasse Molecular Physics 112 (17), 2227-2234, 2014 | 39 | 2014 |
Simultaneous description of bulk and interfacial properties of fluids by the Mie potential S Werth, K Stöbener, M Horsch, H Hasse Molecular Physics 115 (9-12), 1017-1030, 2017 | 33 | 2017 |
Surface tension of the two center Lennard-Jones plus point dipole fluid S Werth, M Horsch, H Hasse The Journal of chemical physics 144 (5), 2016 | 25 | 2016 |
Molecular simulation of the surface tension of 33 multi-site models for real fluids S Werth, M Horsch, H Hasse Journal of Molecular Liquids 235, 126-134, 2017 | 23 | 2017 |
Surface tension of the two center Lennard-Jones plus quadrupole model fluid S Werth, M Horsch, H Hasse Fluid Phase Equilibria 392, 12-18, 2015 | 22 | 2015 |
Long-range correction for dipolar fluids at planar interfaces S Werth, M Horsch, H Hasse Molecular Physics 113 (23), 3750-3756, 2015 | 19 | 2015 |
Comment on "The gas-liquid surface tension of argon: A reconciliation between experiment and simulation" [J. Chem. Phys. 140, 244710 (2014)]. S Werth, M Horsch, J Vrabec, H Hasse Journal of Chemical Physics 142 (10), 107101, 2015 | 18* | 2015 |
Molecular simulation study of the CO2-N2O analogy M Kohns, S Werth, M Horsch, E von Harbou, H Hasse Fluid Phase Equilibria 442, 44-52, 2017 | 12 | 2017 |
Simulation of surface wetting by droplets using a phase field model F Diewald, C Kuhn, R Blauwhoff, M Heier, S Becker, S Werth, M Horsch, ... PAMM 16 (1), 519-520, 2016 | 9 | 2016 |
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 | 6 | 2018 |
SkaSim-Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... CIT (Chemie Ingenieur Technik) 90 (3), 295-306, 2018 | 5 | 2018 |
Molecular modeling and simulation of vapor-liquid interfaces S Werth Technische Universität Kaiserslautern, Laboratory of engineering thermodynamics, 2016 | 5 | 2016 |
Corrigendum to “Molecular simulation of the surface tension of 33 multi-site models for real fluids”[J. Mol. Liq. 235 (2017) 126–134] S Werth, S Stephan, M Horsch, H Hasse OSF, 2019 | 3 | 2019 |
Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces M Horsch, S Becker, JM Castillo, S Deublein, A Fröscher, S Reiser, ... High Performance Computing in Science and Engineering ‘13: Transactions of …, 2013 | 3 | 2013 |
Molecular Dynamics Simulation of Nucleation in CO2. MT Horsch, K Langenbach, SJ Werth, S Eckelsbach, J Vrabec, H Hasse Chemie Ingenieur Technik (CIT) 88 (9), 2016 | 1 | 2016 |