Dr.-Ing. habil. Martin Thomas Horsch

Dr.-Ing. habil. Martin Thomas Horsch

High Performance Computing Center Stuttgart (HLRS)
Nobelstr. 19
70569 Stuttgart
Germany

Functions

  • Research scientist

Projects

  • NFDI4Cat

Scientific Interests

  • Research data management
  • Computational molecular engineering
  • Molecular modelling and simulation
  • Knowledge representation and ontologies
  • Engineering thermodynamics
  • Model optimization and reliability

Publications

[2021] [2020] [2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2009] [2008] [2007] [2005] [2003]

2021 [ to top ]

  • Horsch, M.T., Chiacchiera, S., Cavalcanti, W.L., Schembera, B.: Data Technology in Materials Modelling. , Cham (2021).
     
  • Horsch, M.T., Chiacchiera, S., Seaton, M.A., Todorov, I.T., Schembera, B., Klein, P., Konchakova, N.A.: Pragmatic interoperability and translation of industrial engineering problems into modelling and simulation solutions. In: Sychev, A., Makhortov, S., und Thalheim, B. (Hrsg.) Data Analytics and Management in Data Intensive Domains: 22nd International Conference. Data Analytics and Management in Data Intensive Domains: 22nd International Conference, Cham (2021).
     
  • Horsch, M.T., Chiacchiera, S., Schembera, B., Seaton, M.A., Todorov, I.T.: Semantic interoperability based on the European Materials and Modelling Ontology and its ontological paradigm: Mereosemiotics. In: Chinesta, F., Abgrall, R., Allix, O., und Kaliske, M. (Hrsg.) Proceedings of 14th WCCM-ECCOMAS 2020. Proceedings of 14th WCCM-ECCOMAS 2020, Barcelona (2021).
     

2020 [ to top ]

  • Horsch, M.T., Chiacchiera, S., Seaton, M.A., Todorov, I.T., vSindelka, K., L'isal, M., Andreon, B., Bayro Kaiser, E., Mogni, G., Goldbeck, G., Kunze, R., Summer, G., Fiseni, A., Brüning, H., Schiffels, P., Cavalcanti, W.L.: Ontologies for the Virtual Materials Marketplace. KI - Künstliche Intelligenz. 34, 423-428 (2020).
     
  • Horsch, M.T., Chiacchiera, S., Seaton, M.A., Todorov, I.T., Kunze, R., Summer, G., Fiseni, A., Andreon, B., Scotto Di Minico, A., Bayro Kaiser, E., Kanagalingam, G., Stephan, S., vSindelka, K., L'isal, M., D'iaz Bra~nas, J., Pagonabarraga, I., Chiricotto, M., Elliott, J.D., Carbone, P., Toti, D., Mogni, G., Goldbeck, G., Brüning, H., Schiffels, P., Cavalcanti, W.L.: Ontology-based semantic interoperability on the Virtual Materials Marketplace. In: Taylor, K., Gonccalves, R., Lecue, F., und Yan, J. (Hrsg.) Proceedings of the ISWC 2020 Demos and Industry Tracks: From Novel Ideas to Industrial Practice. S. 134-137. Proceedings of the ISWC 2020 Demos and Industry Tracks: From Novel Ideas to Industrial Practice, Aachen (2020).
     
  • Horsch, M.T., Chiacchiera, S., Seaton, M.A., Todorov, I.T., Schembera, B., Klein, P., Konchakova, N.A.: Pragmatic interoperability and translation of industrial engineering problems into modelling and simulation solutions. In: Thalheim, B., Makhortov, S., und Sychev, A. (Hrsg.) Data Analytics and Management in Data Intensive Domains: XXII. International Conference DAMDID/RCDL 2020. S. 50-53. Data Analytics and Management in Data Intensive Domains: XXII. International Conference DAMDID/RCDL 2020 (2020).
     
  • Horsch, M.T., Niethammer, C., Boccardo, G., Carbone, P., Chiacchiera, S., Chiricotto, M., Elliott, J.D., Lobaskin, V., Neumann, P., Schiffels, P., Seaton, M.A., Todorov, I.T., Vrabec, J., Cavalcanti, W.L.: Semantic interoperability and characterization of data provenance in computational molecular engineering. Journal of Chemical & Engineering Data. 65, 1313-1329 (2020).
     

2019 [ to top ]

  • Diewald, F., Heier, M., Lautenschläger, M., Horsch, M., Kuhn, C., Langenbach, K., Hasse, H., Müller, R.: A Navier-Stokes-Korteweg model for dynamic wetting based on the PeTS equation of state. Proceedings in Applied Mathematics and Mechanics. 19, e201900091 (2019).
     
  • Horsch, M.T., Niethammer, C., Chiacchiera, S., Schiffels, P., Seaton, M.A., Todorov, I.T., Vrabec, J., Neumann, P., Cavalcanti, W.L.: Characterization of data provenance in computational engineering by an ontological representation of simulation workflows. Data Analytics and Management in Data Intensive Domains: Proceedings of the XXI. International Conference (DAMDID/RCDL 2019). S. 493-494. Data Analytics and Management in Data Intensive Domains: Proceedings of the XXI. International Conference (DAMDID/RCDL 2019) (2019).
     
  • Horsch, M.T.: Influence of the dividing surface notion on the formulation of Tolman's law. ZANCO Journal of Pure and Applied Sciences. 31, 199-203 (2019).
     
  • Heier, M., Diewald, F., Horsch, M.T., Langenbach, K., Müller, R., Hasse, H.: Molecular dynamics study of adsorption of the Lennard-Jones truncated and shifted fluid on planar walls. Journal of Chemical & Engineering Data. 64, 386-394 (2019).
     
  • Stephan, S., Horsch, M.T., Vrabec, J., Hasse, H.: Molecular model database of the Boltzmann-Zuse Society for Computational Molecular Engineering. Data Analytics and Management in Data Intensive Domains: Proceedings of the XXI. International Conference (DAMDID/RCDL 2019). S. 467-468. Data Analytics and Management in Data Intensive Domains: Proceedings of the XXI. International Conference (DAMDID/RCDL 2019) (2019).
     
  • Stephan, S., Horsch, M.T., Vrabec, J., Hasse, H.: MolMod - an open access database of force fields for molecular simulations of fluids. Molecular Simulation. 45, 806-814 (2019).
     
  • Lautenschlaeger, M.P., Horsch, M., Hasse, H.: Simultaneous determination of thermal conductivity and shear viscosity using two-gradient non-equilibrium molecular dynamics simulations. Molecular Physics. 117, 189-199 (2019).
     
  • Tchipev, N., Seckler, S., Heinen, M., Vrabec, J., Gratl, F., Horsch, M., Bernreuther, M., Glass, C.W., Niethammer, C., Hammer, N., Krischok, B., Resch, M., Kranzlmüller, D., Hasse, H., Bungartz, H.-J., Neumann, P.: TweTriS: Twenty trillion-atom simulation. International Journal of High Performance Computing Applications. 33, 838-854 (2019).
     

2018 [ to top ]

  • Garc'ia, E.J., Bhandary, D., Horsch, M.T., Hasse, H.: A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly($N$-isopropylacrylamide) in water. Journal of Molecular Liquids. 268, 294-302 (2018).
     
  • Lautenschlaeger, M.P., Stephan, S., Horsch, M.T., Kirsch, B., Aurich, J.C., Hasse, H.: Effects of lubrication on friction and heat transfer in machining processes on the nanoscale: A molecular dynamics approach. Procedia CIRP. 67, 296-301 (2018).
     
  • Diewald, F., Kuhn, C., Heier, M., Langenbach, K., Horsch, M., Hasse, H., Müller, R.: Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors. Computational Materials Science. 141, 185-192 (2018).
     
  • Horsch, M.T.: Massively-parallel molecular dynamics simulation of fluids at interfaces. In: Bastian, P., Kranzlmüller, D., Brüchle, H., und Brehm, M. (Hrsg.) High Performance Computing in Science and Engineering Garching/Munich 2016. S. 100-101. High Performance Computing in Science and Engineering Garching/Munich 2016, Garching (2018).
     
  • Stephan, S., Lautenschlaeger, M., Alabd Alhafez, I., Horsch, M.T., Urbassek, H.M., Hasse, H.: Molecular dynamics simulation study of mechanical effects of lubrication on a nanoscale contact process. Tribology Letters. 66, 126 (2018).
     
  • Kohns, M., Horsch, M., Hasse, H.: Partial molar volume of NaCl and CsCl in mixtures of water and methanol by experiment and molecular simulation. Fluid Phase Equilibria. 458, 30-39 (2018).
     
  • Vrabec, J., Bernreuther, M., Bungartz, H.-J., Chen, W.-L., Cordes, W., Fingerhut, R., Glass, C.W., Gmehling, J., Hamburger, R., Heilig, M., Heinen, M., Horsch, M.T., Hsieh, C.-M., Hülsmann, M., Jäger, M., Klein, P., Knauer, S., Köddermann, T., Köster, A., Langenbach, K., Lin, S.-T., Neumann, P., Rarey, J., Reith, D., Rutkai, G., Schappals, M., Schenk, M., Schedemann, A., Schönherr, M., Seckler, S., Stephan, S., Stöbener, K., Tchipev, N., Wafai, A., Werth, S., Hasse, H.: SkaSim - Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie. Chemie Ingenieur Technik. 90, 295-306 (2018).
     
  • Langenbach, K., Heilig, M., Horsch, M., Hasse, H.: Study of homogeneous bubble nucleation in carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory. Journal of Chemical Physics. 148, 124702 (2018).
     
  • Diewald, F., Heier, M., Horsch, M., Kuhn, C., Langenbach, K., Hasse, H., Müller, R.: Three-dimensional phase field modeling of inhomogeneous gas-liquid systems using the PeTS equation of state. Journal of Chemical Physics. 149, 064701 (2018).
     

2017 [ to top ]

  • Kohns, M., Horsch, M., Hasse, H.: Activity coefficients from molecular simulations using the OPAS method. Journal of Chemical Physics. 147, 144108 (2017).
     
  • Lautenschlaeger, M.P., Stephan, S., Urbassek, H.M., Kirsch, B., Aurich, J.C., Horsch, M.T., Hasse, H.: Effects of lubrication on the friction in nanometric machining processes: A molecular dynamics approach. Applied Mechanics and Materials. 869, 85-93 (2017).
     
  • McGraw, J.D., Klos, M., Bridet, A., Hähl, H., Paulus, M., Castillo, J.M., Horsch, M., Jacobs, K.: Influence of bidisperse self-assembled monolayer structure on the slip boundary condition of thin polymer films. Journal of Chemical Physics. 146, 203326 (2017).
     
  • Werth, S., Horsch, M., Hasse, H.: Molecular simulation of the surface tension of 33 multi-site models for real fluids. Journal of Molecular Liquids. 235, 126-134 (2017).
     
  • Kohns, M., Werth, S., Horsch, M., von Harbou, E., Hasse, H.: Molecular simulation study of the CO$_2$-N$_2$O analogy. Fluid Phase Equilibria. 442, 42-52 (2017).
     
  • Rutkai, G.'abor, Köster, A., Guevara Carri'on, G., Janzen, T., Schappals, M., Glass, C.W., Bernreuther, M., Wafai, A., Stephan, S., Kohns, M., Reiser, S., Deublein, S., Horsch, M., Hasse, H., Vrabec, J.: ms2: A molecular simulation tool for thermodynamic properties, release 3.0. Computer Physics Communications. 221, 343-351 (2017).
     
  • Werth, S., Stöbener, K., Horsch, M., Hasse, H.: Simultaneous description of bulk and interfacial properties of fluids by the Mie potential. Molecular Physics. 115, 1017-1030 (2017).
     
  • Becker, S., Kohns, M., Urbassek, H.M., Horsch, M., Hasse, H.: Static and dynamic wetting behavior of drops on impregnated structured walls by molecular dynamics simulation. Journal of Physical Chemistry C. 121, 12669-12683 (2017).
     
  • Diewald, F., Kuhn, C., Heier, M., Horsch, M., Langenbach, K., Hasse, H., Müller, R.: Surface wetting with droplets: A phase field approach. Proceedings in Applied Mathematics and Mechanics. 17, 501-502 (2017).
     

2016 [ to top ]

  • Kohns, M., Schappals, M., Horsch, M., Hasse, H.: Activities in aqueous solutions of the alkali halide salts from molecular simulation. Journal of Chemical & Engineering Data. 61, 4068-4076 (2016).
     
  • Reiser, S., Horsch, M., Hasse, H.: Density of ethanolic alkali halide salt solutions by experiment and molecular simulation. Fluid Phase Equilibria. 408, 141-150 (2016).
     
  • Horsch, M., Becker, S., Stöbener, K., Werth, S., Eckelsbach, S., Eckhardt, W., Heinecke, A., Tchipev, N., Bungartz, H.-J., Vrabec, J., Hasse, H.: High accuracy molecular dynamics simulation of fluids at interfaces. In: Wagner, S., Bode, A., Brüchle, H., und Brehm, M. (Hrsg.) High Performance Computing in Science and Engineering Garching/Munich 2016. S. 122-123. High Performance Computing in Science and Engineering Garching/Munich 2016, Garching (2016).
     
  • Werth, S., Kohns, M., Langenbach, K., Heilig, M., Horsch, M., Hasse, H.: 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. Fluid Phase Equilibria. 427, 219-230 (2016).
     
  • Becker, S., Werth, S., Horsch, M., Langenbach, K., Hasse, H.: Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation, and density gradient theory. Fluid Phase Equilibria. 427, 476-487 (2016).
     
  • Horsch, M.T.: Molecular Dynamics Simulation of Heterogeneous Systems. , Kaiserslautern (2016).
     
  • Stöbener, K., Klein, P., Horsch, M., Küfer, K., Hasse, H.: Parametrization of two-center Lennard-Jones plus point-quadrupole force field models by multicriteria optimization. Fluid Phase Equilibria. 411, 33-42 (2016).
     
  • Diewald, F., Kuhn, C., Blauwhoff, R., Heier, M., Becker, S., Werth, S., Horsch, M., Hasse, H., Müller, R.: Simulation of surface wetting by droplets using a phase field model. Proceedings in Applied Mathematics and Mechanics. 16, 519-520 (2016).
     
  • Kohns, M., Reiser, S., Horsch, M., Hasse, H.: Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure. Journal of Chemical Physics. 144, 084112 (2016).
     
  • Werth, S., Horsch, M., Hasse, H.: Surface tension of the two-center Lennard-Jones plus point dipole fluid. Journal of Chemical Physics. 144, 054702 (2016).
     

2015 [ to top ]

  • Castillo, J.M., Klos, M., Jacobs, K., Horsch, M., Hasse, H.: Characterization of alkylsilane self-assembled monolayers by molecular simulation. Langmuir. 31, 2630-2638 (2015).
     
  • Werth, S., Horsch, M., Vrabec, J., Hasse, H.: Comment on ``The gas-liquid surface tension of argon: A reconciliation between experiment and simulation'' [J. Chem. Phys. 140, 244710 (2014)]. Journal of Chemical Physics. 142, 107101 (2015).
     
  • Reiser, S., Horsch, M., Hasse, H.: Density of methanolic alkali halide salt solutions by experiment and molecular simulation. Journal of Chemical Engineering Data. 60, 1614-1628 (2015).
     
  • Werth, S., Horsch, M., Hasse, H.: Long-range correction for dipolar fluids at planar interfaces. Molecular Physics. 113, 3750-3756 (2015).
     
  • Horsch, M., Hasse, H.: Molecular modeling and simulation in fluid process engineering. ChemBioEng Reviews. 2, 303-310 (2015).
     
  • Werth, S., Stöbener, K., Klein, P., Küfer, K.-H., Horsch, M., Hasse, H.: Molecular modelling and simulation of the surface tension of real quadrupolar fluids. Chemical Engineering Science. 121, 110-117 (2015).
     
  • Langenbach, K., Engin, C., Reiser, S., Horsch, M., Hasse, H.: On the simultaneous description of H-bonding and dipolar interactions with point charges in force field models. AIChE Journal. 61, 2926-2932 (2015).
     
  • Heinecke, A., Eckhardt, W., Horsch, M., Bungartz, H.-J.: Supercomputing for Molecular Dynamics Simulations. , Berlin - Heidelberg (2015).
     
  • Werth, S., Horsch, M., Hasse, H.: Surface tension of the two center Lennard-Jones plus quadrupole model fluid. Fluid Phase Equilibria. 392, 12-18 (2015).
     

2014 [ to top ]

  • Becker, S., Urbassek, H.M., Horsch, M., Hasse, H.: Contact angle of sessile drops in Lennard-Jones systems. Langmuir. 30, 13606-13614 (2014).
     
  • Werth, S., Rutkai, G.'abor, Vrabec, J., Horsch, M., Hasse, H.: Long-range correction for multi-site Lennard-Jones models and planar interfaces. Molecular Physics. 112, 2227-2234 (2014).
     
  • Niethammer, C., Becker, S., Bernreuther, M., Buchholz, M., Eckhardt, W., Heinecke, A., Werth, S., Bungartz, H.-J., Glass, C.W., Hasse, H., Vrabec, J., Horsch, M.: ls1 mardyn: The massively parallel molecular dynamics code for large systems. Journal of Chemical Theory and Computation. 10, 4455-4464 (2014).
     
  • Horsch, M., Hasse, H.: Molecular simulation of nano-dispersed fluid phases. Chemical Engineering Science. 107, 235-244 (2014).
     
  • Horsch, M., Hasse, H.: Molekulare Modellierung und Simulation in der Fluidverfahrenstechnik. Chemie Ingenieur Technik. 86, 982-990 (2014).
     
  • Glass, C.W., Reiser, S., Rutkai, G.'abor, Deublein, S., Köster, A., Guevara Carri'on, G., Wafai, A., Horsch, M., Bernreuther, M., Windmann, T., Hasse, H., Vrabec, J.: ms2: A molecular simulation tool for thermodynamic properties, new version release. Computer Physics Communications. 185, 3302-3306 (2014).
     
  • Stöbener, K., Klein, P., Reiser, S., Horsch, M., Küfer, K.-H., Hasse, H.: Multicriteria optimization of molecular force fields by Pareto approach. Fluid Phase Equilibria. 373, 100-108 (2014).
     
  • Reiser, S., Horsch, M., Hasse, H.: Temperature dependence of the density of aqueous alkali halide salt solutions by experiment and molecular simulation. Journal of Chemical & Engineering Data. 59, 3434-3448 (2014).
     

2013 [ to top ]

  • Eckhardt, W., Heinecke, A., Bader, R., Brehm, M., Hammer, N., Huber, H., Kleinhenz, H.-G., Vrabec, J., Hasse, H., Horsch, M., Bernreuther, M., Glass, C.W., Niethammer, C., Bode, A., Bungartz, H.-J.: 591 TFLOPS multi-trillion particles simulation on SuperMUC. Supercomputing - 28th International Supercomputing Conference (ISC 2013). S. 1-12. Supercomputing - 28th International Supercomputing Conference (ISC 2013), Berlin - Heidelberg (2013).
     
  • Horsch, M., Niethammer, C., Vrabec, J., Hasse, H.: Computational molecular engineering as an emerging technology in process engineering. it - Information Technology. 55, 97-101 (2013).
     
  • Horsch, M., Becker, S., Castillo, J.M., Deublein, S., Fröscher, A., Reiser, S., Werth, S., Vrabec, J., Hasse, H.: Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces. In: Nagel, W.E., Kröner, D.H., und Resch, M.M. (Hrsg.) High Performance Computing in Science and Engineering '13, Transactions of the High Performance Computing Center, Stuttgart (HLRS). S. 647-661. High Performance Computing in Science and Engineering '13, Transactions of the High Performance Computing Center, Stuttgart (HLRS), Cham - Heidelberg (2013).
     
  • Werth, S., Lishchuk, S.V., Horsch, M., Hasse, H.: The influence of the liquid slab thickness on the planar vapor-liquid interfacial tension. Physica A. 392, 2359-2367 (2013).
     

2012 [ to top ]

  • Walter, J., Deublein, S., Reiser, S., Horsch, M., Vrabec, J., Hasse, H.: Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models. In: Nagel, W.E., Kröner, D.B., und Resch, M.M. (Hrsg.) High Performance Computing in Science and Engineering '11, Transactions of the High Performance Computing Center, Stuttgart (HLRS). S. 185-199. High Performance Computing in Science and Engineering '11, Transactions of the High Performance Computing Center, Stuttgart (HLRS), Berlin - Heidelberg - New York (2012).
     
  • Horsch, M., Hasse, H., Shchekin, A.K., Agarwal, A., Eckelsbach, S., Vrabec, J., Müller, E.A., Jackson, G.: Excess equimolar radius of liquid drops. Physical Review E. 85, 031605 (2012).
     
  • Reiser, S., McCann, N., Horsch, M., Hasse, H.: Hydrogen bonding of ethanol in supercritical mixtures with CO$_2$ by $^1$H NMR spectroscopy and molecular simulation. Journal of Supercritical Fluids. 68, 94-103 (2012).
     
  • Niethammer, C., Glass, C.W., Bernreuther, M., Becker, S., Windmann, T., Horsch, M., Vrabec, J., Eckhardt, W.: Innovative HPC methods and application to highly scalable molecular simulation (IMEMO). Innovatives Supercomputing in Deutschland. 10, 68-71 (2012).
     
  • Frentrup, H., Avenda~no, C., Horsch, M., Müller, E.A.: Modelling fluid flow in nanoporous membrane materials via non-equilibrium molecular dynamics. Procedia Engineering. 44, 383-385 (2012).
     
  • Horsch, M.T., Miroshnichenko, S.K., Vrabec, J., Glass, C.W., Niethammer, C., Bernreuther, M.F., Müller, E.A., Jackson, G.: Static and dynamic properties of curved vapour-liquid interfaces by massively parallel molecular dynamics simulation. In: Bischof, C., Hegering, H.-G., Nagel, W.E., und Wittum, G. (Hrsg.) Competence in High Performance Computing. S. 73-84. Competence in High Performance Computing, Berlin - Heidelberg (2012).
     
  • Frentrup, H., Avenda~no, C., Horsch, M., Salih, A., Müller, E.A.: Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation. Molecular Simulation. 38, 540-553 (2012).
     

2011 [ to top ]

  • Horsch, M., Miroshnichenko, S., Vrabec, J., Shchekin, A.K., Müller, E., Jackson, G.: A new route to evaluate the curvature dependence of the surface tension of vapour-liquid interfaces by molecular simulation. In: Gotlib, I., Victorov, A., und Smirnova, N. (Hrsg.) ESAT 2011 - 25th European Symposium on Applied Thermodynamics. S. 85-86. ESAT 2011 - 25th European Symposium on Applied Thermodynamics, Saint Petersburg (2011).
     
  • Horsch, M., Lin, Z., Windmann, T., Hasse, H., Vrabec, J.: The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation. Atmospheric Research. 101, 519-526 (2011).
     

2010 [ to top ]

  • Horsch, M., Heitzig, M., Dan, C., Harting, J., Hasse, H., Vrabec, J.: Contact angle dependence on the fluid-wall dispersive energy. Langmuir. 26, 10913-10917 (2010).
     
  • Vrabec, J., Baumhögger, E., Elsner, A., Horsch, M., Liu, Z., Miroshnichenko, S., Nazdraji'c, A., Windmann, T.: Molecular dynamics simulation of fluid dynamics on the nanoscale. In: Kuzmin, A. (Hrsg.) Sixth International Conference on Computational Fluid Dynamics (ICCFD 6) - Book of Abstracts. S. 106-107. Sixth International Conference on Computational Fluid Dynamics (ICCFD 6) - Book of Abstracts, St. Petersburg (2010).
     
  • Horsch, M., Heitzig, M., Merker, T., Schnabel, T., Huang, Y.-L., Hasse, H., Vrabec, J.: Molecular modeling of hydrogen bonding fluids: Vapor-liquid coexistence and interfacial properties. In: Nagel, W.E., Kröner, D.B., und Resch, M.M. (Hrsg.) High Performance Computing in Science and Engineering '09, Transactions of the High Performance Computing Center Stuttgart (HLRS). S. 471-483. High Performance Computing in Science and Engineering '09, Transactions of the High Performance Computing Center Stuttgart (HLRS), Berlin - Heidelberg (2010).
     
  • Lehmann, G.C., Dubberke, F., Horsch, M., Huang, Y.-L., Miroshnichenko, S., Pflock, R., Sonnenrein, G., Vrabec, J.: Research on the behavior of liquid fluids atop superhydrophobic gas-bubbled surfaces. Gehalten auf der , St. Petersburg (2010).
     

2009 [ to top ]

  • Horsch, M., Vrabec, J.: Grand canonical steady-state simulation of nucleation. Journal of Chemical Physics. 131, 184104 (2009).
     
  • Bernreuther, M., Niethammer, C., Horsch, M., Vrabec, J., Deublein, S., Hasse, H., Buchholz, M.: Innovative HPC methods and application to highly scalable molecular simulation. Innovatives Supercomputing in Deutschland. 7, 50-53 (2009).
     
  • Vrabec, J., Horsch, M., Hasse, H.: Molecular dynamics based analysis of nucleation and surface energy of droplets in supersaturated vapors of methane and ethane. ASME Journal of Heat Transfer. 131, 043202 (2009).
     
  • Eckl, B., Horsch, M., Vrabec, J., Hasse, H.: Molecular modeling and simulation of thermophysical properties: Application to pure substances and mixtures. In: Nagel, W.E., Kröner, D.B., und Resch, M.M. (Hrsg.) High Performance Computing in Science and Engineering '08, Transactions of the High Performance Computing Center Stuttgart (HLRS). S. 119-133. High Performance Computing in Science and Engineering '08, Transactions of the High Performance Computing Center Stuttgart (HLRS), Berlin - Heidelberg - New York (2009).
     
  • Horsch, M., Vrabec, J., Bernreuther, M., Hasse, H.: Poiseuille flow of liquid methane in nanoscopic graphite channels by molecular dynamics simulation. In: Hanjali'c, und others, (Hrsg.) Proceedings of the 6th International Symposium Turbulence, Heat and Mass Transfer. S. 89-92. Proceedings of the 6th International Symposium Turbulence, Heat and Mass Transfer, New York (2009).
     
  • Horsch, M., Miroshnichenko, S., Vrabec, J.: Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald's daemon. Journal of Physical Studies. 13, 4004 (2009).
     
  • Horsch, M., Vrabec, J.: Steady-state simulation of homogeneous vapor-liquid nucleation lqby the intervention of intelligent beingsrq. In: Smol'ik, J. und O'Dowd, C. (Hrsg.) Proceedings of the 18th International Conference on Nucleation & Atmospheric Aerosols. S. 585-588. Proceedings of the 18th International Conference on Nucleation & Atmospheric Aerosols (2009).
     

2008 [ to top ]

  • Horsch, M., Vrabec, J., Bernreuther, M., Grottel, S., Reina, G., Wix, A., Schaber, K., Hasse, H.: Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics. Journal of Chemical Physics. 128, 164510 (2008).
     
  • Horsch, M., Vrabec, J., Hasse, H.: Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate. Physical Review E. 78, 011603 (2008).
     
  • Vrabec, J., Horsch, M., Hasse, H.: Molecular dynamics based analysis of nucleation and surface energy of droplets in supersaturated vapors of methane and ethane. Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference 2008, parts A and B. S. 185-186. Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference 2008, parts A and B, Biggleswade (2008).
     

2007 [ to top ]

  • Diekert, V., Horsch, M., Kufleitner, M.: On first-order fragments for Mazurkiewicz traces. Fundamenta Informaticae. 80, 1-29 (2007).
     

2005 [ to top ]

  • Horsch, M.: Test case generation for rule-based translators (2005).
     

2003 [ to top ]

  • Makala, C., Horsch, M.: GIS und modellgestütztes Lernen am Beispiel von Bewertungsaufgaben im Rahmen der Flächennutzungs- und Landschaftsplanung. In: Strobl, J., Blaschke, T., und Griesebner, G. (Hrsg.) Beiträge zum AGIT-Symposium 2003 in Salzburg. S. 274-279. Beiträge zum AGIT-Symposium 2003 in Salzburg, Heidelberg (2003).