| 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 | 174 | 2014 |
| Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate M Horsch, J Vrabec, H Hasse Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 78 (1 …, 2008 | 106 | 2008 |
| MolMod - an open access database of force fields for molecular simulations of fluids S Stephan, MT Horsch, J Vrabec, H Hasse Molecular Simulation 45 (10), 806-814, 2019 | 105 | 2019 |
| 591 TFLOPS multi-trillion particles simulation on SuperMUC W Eckhardt, A Heinecke, R Bader, M Brehm, N Hammer, H Huber, ... Supercomputing: 28th International Supercomputing Conference, ISC 2013 …, 2013 | 104 | 2013 |
| Contact angle of sessile drops in Lennard-Jones systems S Becker, HM Urbassek, M Horsch, H Hasse Langmuir 30 (45), 13606-13614, 2014 | 100 | 2014 |
| Twetris: Twenty trillion-atom simulation N Tchipev, S Seckler, M Heinen, J Vrabec, F Gratl, M Horsch, ... International Journal of High Performance Computing Applications 33 (5), 838-854, 2019 | 97 | 2019 |
| Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation H Frentrup, C Avendaño, M Horsch, A Salih, EA Müller Molecular Simulation 38 (7), 540-553, 2012 | 96 | 2012 |
| ms2: A molecular simulation tool for thermodynamic properties, release 3.0 G Rutkai, A Köster, G Guevara Carrión, T Janzen, M Schappals, ... Computer Physics Communications 221, 343-351, 2017 | 92 | 2017 |
| ms2: A molecular simulation tool for thermodynamic properties, new version release CW Glass, S Reiser, G Rutkai, S Deublein, A Köster, G Guevara-Carrion, ... Computer Physics Communications 185 (12), 3302-3306, 2014 | 90 | 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 | 90 | 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 | 69 | 2016 |
| Excess equimolar radius of liquid drops M Horsch, H Hasse, AK Shchekin, A Agarwal, S Eckelsbach, J Vrabec, ... Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 85 (3 …, 2012 | 61 | 2012 |
| Multicriteria optimization of molecular force fields by Pareto approach K Stöbener, P Klein, S Reiser, M Horsch, KH Küfer, H Hasse Fluid Phase Equilibria 373, 100-108, 2014 | 59 | 2014 |
| Semantic interoperability and characterization of data provenance in computational molecular engineering MT Horsch, C Niethammer, G Boccardo, P Carbone, S Chiacchiera, ... Journal of Chemical & Engineering Data 65 (3), 1313-1329, 2020 | 56 | 2020 |
| Parametrization of two-center Lennard-Jones plus point-quadrupole force field models by multicriteria optimization K Stöbener, P Klein, M Horsch, K Küfer, H Hasse Fluid Phase Equilibria 411, 33-42, 2016 | 56 | 2016 |
| Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics M Horsch, J Vrabec, M Bernreuther, S Grottel, G Reina, A Wix, K Schaber, ... The Journal of Chemical Physics 128 (16), 2008 | 49 | 2008 |
| 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 | 48 | 2015 |
| Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure M Kohns, S Reiser, M Horsch, H Hasse The Journal of chemical physics 144 (8), 2016 | 46 | 2016 |
| 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 | 45 | 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 | 43 | 2014 |
Hans HasseUniversity of KaiserslauternVerified email at mv.uni-kl.de
