Martin Thomas Horsch
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
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
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 78 (1), 011603, 2008
Contact angle of sessile drops in Lennard-Jones systems
S Becker, HM Urbassek, M Horsch, H Hasse
Langmuir 30 (45), 13606-13614, 2014
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
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
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
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
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
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
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
Excess equimolar radius of liquid drops
M Horsch, H Hasse, AK Shchekin, A Agarwal, S Eckelsbach, J Vrabec, ...
Physical Review E 85 (3), 031605, 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
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
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
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
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
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
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
Data Technology in Materials Modelling
MT Horsch, S Chiacchiera, WL Cavalcanti, B Schembera
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