Avhandlingar (theses and books)
Artiklar i tidsskrift og konferansebidrag (journal papers & proceedings contributions)
- M. T. Horsch, S. Chiacchiera, G. Guevara Carrión, M.
Kohns, E. A. Müller, D. Šarić, S. Stephan, I.
T. Todorov, J. Vrabec & B. Schembera (2023). Epistemic metadata for
computational engineering information systems. In N.
Aussenac-Gilles et al. (editors), Formal Ontology in
Information Systems: Proceedings of the 13th International
Conference: 302-319 (doi:10.3233/faia231136). IOS, Amsterdam (ISBN
978-1-64368-468-0).
- M. T. Horsch, B. Schembera & H. A. Preisig (2023). European standardization efforts
from FAIR toward explainable-AI-ready data documentation in
materials modelling. In S. Nichele et al. (editors),
2023 3rd International Conference on Applied Artificial
Intelligence (doi:10.1109/icapai58366.2023.10193944). IEEE,
Piscataway (ISBN 979-8-3503-2892-9).
- D. Schaefer, S. Stephan, K. Langenbach, M. T. Horsch &
H. Hasse (2023). Mass
transfer through vapor-liquid interfaces studied by
non-stationary molecular dynamics simulations. Journal of
Physical Chemistry B 127 (11): 2521-2533
(doi:10.1021/acs.jpcb.2c08752).
- M. T. Horsch & B. Schembera (2022). Documentation of epistemic metadata by a
mid-level ontology of cognitive processes. In G. Righetti
et al. (editors), JOWO 2022 - The Joint Ontology Workshops:
2-CAOS. CEUR-WS, Aachen.
- N. Konchakova, H. A. Preisig, C. Kavka, M. T. Horsch, P. Klein
& S. Belouettar (2022). Bringing together materials and business ontologies for
protective coatings. In E. M. Sanfilippo et al.
(editors), FOMI 2022 - Formal Ontologies Meet Industry.
CEUR-WS, Aachen.
- M. Horsch, T. Petrenko, V. Kushnarenko, B. Schembera,
B. Wentzel, A. Behr, N. Kockmann, S. Schimmler &
T. Bönisch (2022). Interoperability and architecture requirements analysis and
metadata standardization for a research data infrastructure in
catalysis. In A. Pozanenko et al. (editors), Data
Analytics and Management in Data Intensive Domains - 23rd
International Conference: 166-177. Springer, Cham (ISBN
978-3-031-12284-2).
- H. A. Preisig, P. Klein, N. Konchakova, T. F. Hagelien,
J. Friis & M. T. Horsch (2022). Topology-based construction
of business-integrated material modelling workflows. In
L. Monastruc and S. Negny (editors), 32nd European Symposium
on Computer Aided Process Engineering: 1237-1242. Elsevier,
Amsterdam (ISBN 978-0-32395879-0).
- S. Schimmler, T. Bönisch, M. T. Horsch, T. Petrenko,
B. Schembera, V. Kushnarenko, B. Wentzel, F. Kirstein, H. Viemann,
M. Holeňa & D. Linke (2022). NFDI4Cat: Local and overarching data
infrastructures. In V. Heuveline and N. Bisheh (editors),
E-Science-Tage 2021 - Share Your Research Data: 277-284.
heiBOOKS, Heidelberg (ISBN 978-3-948083-55-7).
- M. Heinen, R. S. Chatwell, S. Homes, G. Guevara Carrión,
R. Fingerhut, M. Kohns, S. Stephan, M. T. Horsch & J. Vrabec
(2021). Molecular
modeling and simulation: Model development, thermodynamic
properties, scaling behavior and data management. In W. E.
Nagel et al. (editors), High Performance Computing in
Science and Engineering '20, Transactions of the High Performance
Computing Center, Stuttgart (HLRS): 541-559. Springer, Cham
(ISBN 978-3-030-80601-9).
- M. T. Horsch (2021). Mereosemiotics: Parts and signs. In E. M. Sanfilippo et
al. (editors), JOWO 2021 - The Joint Ontology Workshops (FOUST Workshop): 3. CEUR-WS, Aachen.
- P. Klein, H. A. Preisig, M. T. Horsch & N. Konchakova
(2021). Application of an ontology
based process model construction tool for active protective
coatings: Corrosion inhibitor release. In E. M. Sanfilippo
et al. (editors), JOWO 2021 - The Joint Ontology
Workshops (FOMI Workshop): 26. CEUR-WS, Aachen.
- M. T. Horsch, D. Toti, S. Chiacchiera, M. A. Seaton, G. Goldbeck
& I. T. Todorov (2021). OSMO:
Ontology for simulation, modelling, and optimization. In E.
M. Sanfilippo et al. (editors), JOWO 2021 - The Joint
Ontology Workshops (FOIS Ontology Showcase): 47. CEUR-WS,
Aachen.
- M. T. Horsch, J. Francisco Morgado, G. Goldbeck, D. Iglezakis,
N. A. Konchakova & B. Schembera (2021). Domain-specific metadata
standardization in materials modelling. In Chiacchiera et al. (editors), Domain Ontologies for Research Data
Management in Industry Commons of Materials and Manufacturing (DORIC-MM 2021): 12-27. UKRI STFC, Daresbury.
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov, B.
Schembera, P. Klein & N. A. Konchakova (2021). Pragmatic interoperability
and translation of industrial engineering problems into modelling
and simulation solutions.
In Sychev et al.
(editors), Data Analytics and Management in Data Intensive
Domains: 22nd International Conference: 45-59.
Springer, Cham (ISBN 978-3-030-81199-0).
- M. Horsch, S. Chiacchiera, B. Schembera, M. Seaton & I.
Todorov (2021). Semantic
interoperability based on the European Materials and Modelling
Ontology and its ontological paradigm: Mereosemiotics. In Chinesta et al.
(editors), 14th WCCM-ECCOMAS Congress 2020,
doi:10.23967/wccm-eccomas.2020.297. Scipedia,
Barcelona.
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov,
R. Kunze, G. Summer, A. Fiseni, B. Andreon, A. Scotto Di Minico,
E. Bayro Kaiser, G. Kanagalingam, S. Stephan, K. Šindelka,
M. Lísal, J. Díaz Brañas, I. Pagonabarraga,
M. Chiricotto, J. D. Elliott, P. Carbone, D. Toti, G. Mogni,
G. Goldbeck, H. Brüning, P. Schiffels & W. L. Cavalcanti
(2020). Ontology-based semantic interoperability on the Virtual
Materials Marketplace. In Taylor et al. (editors), Proceedings of the ISWC 2020 Demos and Industry Tracks: From
Novel Ideas to Industrial Practice: 134-137. CEUR-WS,
Aachen.
- M. T. Horsch, S. Chiacchiera, M. A. Seaton, I. T. Todorov, K.
Šindelka, M. Lísal, B. Andreon, E. Bayro Kaiser, G.
Mogni, G. Goldbeck, R. Kunze, G. Summer, A. Fiseni, H.
Brüning, P. Schiffels & W. L. Cavalcanti (2020). Ontologies for the
Virtual Materials Marketplace. KI - Künstliche
Intelligenz 34 (3): 423-428.
- M. T. Horsch, C. Niethammer, G. Boccardo, P. Carbone, S.
Chiacchiera, M. Chiricotto, J. D. Elliott, V. Lobaskin, P.
Neumann, P. Schiffels, M. A. Seaton, I. T. Todorov, J. Vrabec
& W. L. Cavalcanti (2020). Semantic
interoperability and characterization of data provenance in
computational molecular engineering. Journal of Chemical
& Engineering Data 65 (3): 1313-1329.
- F. Diewald, M. Heier, M. Lautenschläger, M. Horsch, C.
Kuhn, K. Langenbach, H. Hasse & R. Müller (2019). A Navier-Stokes-Korteweg
model for dynamic wetting based on the PeTS equation of state. Proceedings in Applied Mathematics and Mechanics 19 (1): e201900091.
- S. Stephan, M. T. Horsch, J. Vrabec & H. Hasse (2019). Molecular model database of the
Boltzmann-Zuse Society for Computational Molecular Engineering. In Elizarov et al. (editors), Data Analytics and
Management in Data Intensive Domains, Proceedings of the XXI.
International Conference (DAMDID/RCDL 2019): 467-468. Kazan
Federal University (ISBN 978-5-00130-214-8).
- M. T. Horsch, C. Niethammer, S. Chiacchiera, P. Schiffels, M. A.
Seaton, I. T. Todorov, J. Vrabec, P. Neumann & W. L.
Cavalcanti (2019). Characterization of data provenance in computational engineering
by an ontological representation of simulation workflows. In
Elizarov et al. (editors), Data Analytics and
Management in Data Intensive Domains, Proceedings of the XXI.
International Conference (DAMDID/RCDL 2019): 493-494. Kazan
Federal University (ISBN 978-5-00130-214-8).
- N. Tchipev, S. Seckler, M. Heinen, J. Vrabec, F. Gratl, M.
Horsch, M. Bernreuther, C. W. Glass, C. Niethammer, N. Hammer, B.
Krischok, M. Resch, D. Kranzlmüller, H. Hasse, H.-J.
Bungartz & P. Neumann (2019). TweTriS: Twenty
trillion-atom simulation. International Journal of High
Performance Computing Applications 33 (5):
838-854.
- M. T. Horsch (2019). Influence of
the dividing surface notion on the formulation of Tolman's law. ZANCO Journal of Pure and Applied Sciences 31
(s3): 199-203.
- M. Heier, F. Diewald, M. T. Horsch, K. Langenbach, R.
Müller & H. Hasse (2019). Molecular dynamics study of
adsorption of the Lennard-Jones truncated and shifted fluid on
planar walls. Journal of Chemical & Engineering
Data 64 (2): 386-394.
- S. Stephan, M. Horsch, J. Vrabec & H. Hasse (2019). MolMod - an open access
database of force fields for molecular simulations of fluids.
Molecular Simulation 45(10): 806-814.
- M. P. Lautenschlaeger, M. Horsch & H. Hasse (2019). Simultaneous determination of
thermal conductivity and shear viscosity using two-gradient
non-equilibrium molecular dynamics simulations. Molecular
Physics 117(2): 189-199.
- S. Stephan, M. P. Lautenschlaeger, I. Alabd Alhafez, M. T.
Horsch, H. M. Urbassek & H. Hasse (2018). Molecular dynamics simulation
of mechanical effects of lubrication on a nanoscale contact
process. Tribology Letters 66(4): 126.
- F. Diewald, M. Heier, M. Horsch, C. Kuhn, K. Langenbach, H.
Hasse & R. Müller (2018). Three-dimensional phase
field modeling of inhomogeneous gas-liquid systems using the PeTS
equation of state. Journal of Chemical Physics 149: 064701.
- E. J. García, D. Bhandary, M. T. Horsch & H. Hasse
(2018). 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.
- M. T. Horsch (2018). Massively-parallel molecular dynamics simulation of fluids at
interfaces. In Bastian et al. (editors), High
Performance Computing in Science and Engineering
Garching/Munich 2018: 100-101. LRZ, Garching (ISBN
978-3-9816675-2-3).
- M. P. Lautenschlaeger, S. Stephan, M. T. Horsch, B. Kirsch, J.
C. Aurich & H. Hasse (2018). Effects of lubrication on
friction and heat transfer in machining processes on the
nanoscale: A molecular dynamics approach. Procedia CIRP 67: 296-301.
- K. Langenbach, M. Heilig, M. Horsch & H. Hasse (2018). 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.
- J. Vrabec, M. Bernreuther, H.-J. Bungartz, W.-L. Chen, W.
Cordes, R. Fingerhut, C. W. Glass, J. Gmehling, R. Hamburger, M.
Heilig, M. Heinen, M. T. Horsch, C.-M. Hsieh, M. Hülsmann,
M. Jäger, P. Klein, S. Knauer, T. Köddermann, A.
Köster, K. Langenbach, S.-T. Lin, P. Neumann, J. Rarey, D.
Reith, G. Rutkai, M. Schappals, M. Schenk, A. Schedemann, M.
Schönherr, S. Seckler, S. Stephan, K. Stöbener, N.
Tchipev, A. Wafai, S. Werth & H. Hasse (2018). SkaSim - Skalierbare
HPC-Software für molekulare Simulationen in der chemischen
Industrie. Chemie Ingenieur Technik 90(3):
295-306.
- M. Kohns, M. Horsch & H. Hasse (2018). Partial molar volume of NaCl and CsCl in mixtures of water and
methanol by experiment and molecular simulation. Fluid
Phase Equilibria 458: 30-39.
- F. Diewald, C. Kuhn, M. Heier, K. Langenbach, M. Horsch, H.
Hasse & R. Müller (2018). Investigating the stability
of the phase field solution of equilibrium droplet configurations
by eigenvalues and eigenvectors. Computational Materials
Science 141: 185-192.
- F. Diewald, C. Kuhn, M. Heier, M. Horsch, K. Langenbach, H.
Hasse & R. Müller (2017). Surface wetting with droplets: A phase field approach. Proceedings in Applied Mathematics and Mechanics 17:
501-502.
- G. Rutkai, A. Köster, G. Guevara Carrión, T. Janzen,
M. Schappals, C. W. Glass, M. Bernreuther, A. Wafai, S. Stephan,
M. Kohns, S. Reiser, S. Deublein, M. Horsch, H. Hasse &
J. Vrabec (2017). ms2: A molecular simulation tool for thermodynamic properties,
release 3.0. Computer Physics Communications
221: 343-351.
- M. Kohns, M. Horsch & H. Hasse (2017). Activity coefficients from
molecular simulations using the OPAS method. Journal of
Chemical Physics 147: 144108.
- M. P. Lautenschlaeger, S. Stephan, H. M. Urbassek, B. Kirsch, J.
C. Aurich, M. T. Horsch & H. Hasse (2017). Effects of lubrication on the
friction in nanometric machining processes: A molecular dynamics
approach. Applied Mechanics and Materials 869:
85-93.
- S. Becker, M. Kohns, H. M. Urbassek, M. Horsch & H. Hasse
(2017). Static and dynamic
wetting behavior of drops on impregnated structured walls by
molecular dynamics simulation. Journal of Physical
Chemistry C 121 (23): 12669-12683.
- S. Werth, K. Stöbener, M. Horsch & H. Hasse (2017). Simultaneous description of bulk
and interfacial properties of fluids by the Mie potential. Molecular Physics 115 (9-12): 1017-1030.
- S. Werth, M. Horsch & H. Hasse (2017, 2019). Molecular simulation of the
surface tension of 33 multi-site models for real fluids. Journal of Molecular Liquids 235: 126-134, 286: 110877.
- J. D. McGraw, M. Klos, A. Bridet, H. Hähl, M. Paulus, J. M.
Castillo, M. Horsch & K. Jacobs (2017). Influence of bidisperse
self-assembled monolayer structure on the slip boundary condition
of thin polymer films. Journal of Chemical Physics 146: 203326.
- M. Kohns, S. Werth, M. Horsch, E. von Harbou & H. Hasse
(2017). Molecular
simulation study of the CO2-N2O analogy. Fluid Phase Equilibria 442: 44-52.
- M. Kohns, M. Schappals, M. Horsch & H. Hasse (2016). Activities in aqueous solutions
of the alkali halide salts from molecular simulation. Journal of Chemical & Engineering Data 61 (12):
4068-4076.
- F. Diewald, C. Kuhn, R. Blauwhoff, M. Heier, S. Becker,
S. Werth, M. Horsch, H. Hasse & R. Müller (2016). Simulation of surface
wetting by droplets using a phase field model. Proceedings in Applied Mathematics and Mechanics 16:
519-520.
- S. Becker, S. Werth, M. Horsch, K. Langenbach & H. Hasse
(2016). 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.
- S. Werth, M. Kohns, K. Langenbach, M. Heilig, M. Horsch &
H. Hasse (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. Fluid Phase
Equilibria 427: 219-230.
- M. Horsch, S. Becker, K. Stöbener, S. Werth, S. Eckelsbach,
W. Eckhardt, A. Heinecke, N. Tchipev, H.-J. Bungartz, J. Vrabec
& H. Hasse (2016). High
accuracy molecular dynamics simulation of fluids at
interfaces. In Wagner et al. (editors), High
Performance Computing in Science and Engineering
Garching/Munich 2016: 122-123. LRZ, Garching (ISBN
978-3-9816675-1-6).
- M. Kohns, S. Reiser, M. Horsch & H. Hasse (2016). Solvent activity in
electrolyte solutions from molecular simulation of the osmotic
pressure. Journal of Chemical Physics 144:
084112.
- S. Werth, M. Horsch & H. Hasse (2016). Surface tension of the two
center Lennard-Jones plus point dipole fluid. Journal of
Chemical Physics 144: 054702.
- K. Stöbener, P. Klein, M. Horsch, K. Küfer & H.
Hasse (2016). Parametrization of two-center Lennard-Jones plus
point-quadrupole force field models by multicriteria
optimization. Fluid Phase Equilibria 411:
33-42.
- S. Reiser, M. Horsch & H. Hasse (2016). Density of ethanolic alkali
halide salt solutions by experiment and molecular simulation. Fluid Phase Equilibria 408: 141-150.
- S. Werth, M. Horsch & H. Hasse (2015), Long-range correction for
dipolar fluids at planar interfaces. Molecular Physics 113 (23): 3750-3756.
- M. Horsch & H. Hasse (2015). Molecular modeling and
simulation in fluid process engineering. ChemBioEng
Reviews 2 (4): 303-310.
- K. Langenbach, C. Engin, S. Reiser, M. Horsch & H. Hasse
(2015). On the
simultaneous description of H-bonding and dipolar interactions
with point charges in force field models. AIChE
Journal 61 (9): 2926-2932.
- S. Reiser, M. Horsch & H. Hasse (2015). Density of methanolic alkali
halide salt solutions by experiment and molecular simulation. Journal of Chemical & Engineering Data 60
(6): 1614-1628.
- J. M. Castillo, M. Klos, K. Jacobs, M. Horsch & H. Hasse
(2015). Characterization
of alkylsilane self-assembled monolayers by molecular
simulation. Langmuir 31 (9): 2630-2638.
- S. Werth, M. Horsch, J. Vrabec & H. Hasse (2015). 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.
- S. Werth, M. Horsch & H. Hasse (2015). Surface tension of the two
center Lennard-Jones plus quadrupole model fluid. Fluid
Phase Equilibria 392: 12-18.
- S. Werth, K. Stöbener, P. Klein, K.-H. Küfer,
M. Horsch & H. Hasse (2015). Molecular modelling and
simulation of the surface tension of real quadrupolar fluids. Chemical Engineering Science 121: 110-117.
- S. Becker, H. M. Urbassek, M. Horsch & H. Hasse (2014). Contact angle of sessile drops
in Lennard-Jones systems. Langmuir 30 (45):
13606-13614.
- C. Niethammer, S. Becker, M. Bernreuther, M. Buchholz,
W. Eckhardt, A. Heinecke, S. Werth, H.-J. Bungartz, C. W. Glass,
H. Hasse, J. Vrabec & M. Horsch (2014). ls1 mardyn:
The massively parallel molecular dynamics code for large
systems. Journal of Chemical Theory and Computation 10 (10): 4455-4464.
- S. Reiser, M. Horsch & H. Hasse (2014). Temperature dependence of the
density of aqueous alkali halide salt solutions by experiment
and molecular simulation. Journal of Chemical &
Engineering Data 59 (11): 3434-3448.
- C. W. Glass, S. Reiser, G. Rutkai, S. Deublein, A. Köster,
G. Guevara Carrión, A. Wafai, M. Horsch, M. Bernreuther,
T. Windmann, H. Hasse & J. Vrabec (2014). ms2: A molecular
simulation tool for thermodynamic properties, new version
release. Computer Physics Communications 185
(12): 3302-3306.
- S. Werth, G. Rutkai, J. Vrabec, M. Horsch & H. Hasse
(2014). Long-range
correction for multi-site Lennard-Jones models and planar
interfaces. Molecular Physics 112 (17):
2227-2234.
- M. Horsch & H. Hasse (2014). Molekulare Modellierung und
Simulation in der Fluidverfahrenstechnik. Chemie
Ingenieur Technik 86 (7): 982-990.
- K. Stöbener, P. Klein, S. Reiser, M. Horsch,
K.-H. Küfer & H. Hasse (2014). Multicriteria optimization
of molecular force fields by Pareto approach. Fluid Phase
Equilibria 373: 100-108.
- M. Horsch & H. Hasse (2014). Molecular simulation of
nano-dispersed fluid phases. Chemical Engineering
Science 107: 235-244.
- M. Horsch, S. Becker, J. M. Castillo, S. Deublein, A.
Fröscher, S. Reiser, S. Werth, J. Vrabec & H. Hasse
(2013). Molecular
modelling and simulation of electrolyte solutions, biomolecules,
and wetting of component surfaces. In Nagel et al.
(editors), High Performance Computing in Science and
Engineering '13, Transactions of the High Performance Computing
Center, Stuttgart (HLRS): 647-661. Springer, Heidelberg
(ISBN 978-3-319-02164-5).
- M. Horsch, C. Niethammer, J. Vrabec & H. Hasse (2013). Computational molecular
engineering as an emerging technology in process engineering. it - Information Technology 55 (3):
97-101.
- W. Eckhardt, A. Heinecke, R. Bader, M. Brehm, N. Hammer,
H. Huber, H.-G. Kleinhenz, J. Vrabec, H. Hasse, M. Horsch,
M. Bernreuther, C. W. Glass, C. Niethammer, A. Bode & H.-J.
Bungartz (2013). 591
TFLOPS multi-trillion particles simulation on SuperMUC. In
Kunkel et al. (editors), Supercomputing - XXVIII.
International Supercomputing Conference (ISC 2013), Lecture
Notes in Computer Science 7905: 1-12. Springer,
Heidelberg (ISBN 978-3-642-38749-4).
- S. Werth, S. V. Lishchuk, M. Horsch & H. Hasse (2013). The influence of the liquid slab
thickness on the planar vapor-liquid interfacial tension.
Physica A 392 (10): 2359-2367.
- H. Frentrup, C. Avendaño, M. Horsch & E. A.
Müller (2012). Modelling fluid
flow in nanoporous membrane materials via non-equilibrium
molecular dynamics. Procedia Engineering 44:
383-385.
- S. Reiser, N. McCann, M. Horsch & H. Hasse (2012). Hydrogen bonding of ethanol
in supercritical mixtures with CO2 by 1H
NMR spectroscopy and molecular simulation. Journal
of Supercritical Fluids 68: 94-103.
- C. Niethammer, C. W. Glass, M. Bernreuther, S. Becker,
T. Windmann, M. Horsch, J. Vrabec & W. Eckhardt (2012). Innovative HPC methods and
application to highly scalable molecular simulation (IMEMO). Innovatives Supercomputing in Deutschland 10 (1): 68-71.
- H. Frentrup, C. Avendaño, M. Horsch, A. Salih & E.
A. Müller (2012). Transport diffusivities of fluids in nanopores by
non-equilibrium molecular dynamics simulation. Molecular
Simulation 38 (7): 540-553.
- M. Horsch, H. Hasse, A. K. Shchekin, A. Agarwal, S.
Eckelsbach, J. Vrabec, E. A. Müller & G. Jackson
(2012). Excess equimolar radius
of liquid drops. Physical Review E 85:
031605.
- M. T. Horsch, S. K. Miroshnichenko, J. Vrabec, C. W. Glass, C.
Niethammer, M. F. Bernreuther, E. A. Müller & G.
Jackson (2012). Static and
dynamic properties of curved vapour-liquid interfaces by
massively parallel molecular dynamics simulation. In
Bischof et al. (editors), Competence in High
Performance Computing: 73-84. Springer, Heidelberg (ISBN
978-3-642-24024-9).
- J. Walter, S. Deublein, S. Reiser, M. Horsch, J. Vrabec &
H. Hasse (2012). Atomistic
simulations of electrolyte solutions and hydrogels with
explicit solvent models. In Nagel et al. (editors),
High Performance Computing in Science and Engineering '11,
Transactions of the High Performance Computing Center,
Stuttgart (HLRS): 185-199. Springer, Heidelberg (ISBN
978-3-642-23868-0).
- M. Horsch, M. Heitzig, C. Dan, J. Harting, H. Hasse & J.
Vrabec (2010). Contact
angle dependence on the fluid-wall dispersive energy. Langmuir 26 (13): 10913-10917.
- J. Vrabec, E. Baumhögger, A. Elsner, M. Horsch, Z. Liu,
S. Miroshnichenko, A. Nazdrajić & T. Windmann
(2010). Molecular simulation of
fluid dynamics on the nanoscale. In Kuzmin (editor), Sixth International Conference on Computational Fluid
Dynamics: 106-107. VVM Publishing Co., St. Petersburg (ISBN
978-5-9651-0471-0).
- G. C. Lehmann, F. Dubberke, M. Horsch, Y.-L. Huang, S.
Miroshnichenko, R. Pflock, G. Sonnenrein & J. Vrabec
(2010). Research on the
behavior of liquid fluids atop superhydrophobic gas-bubbled
surfaces. In Kuzmin (editor), Sixth International
Conference on Computational Fluid Dynamics: 108-109. VVM
Publishing Co., St. Petersburg (ISBN 978-5-9651-0471-0).
- M. Horsch, M. Heitzig, T. Merker, T. Schnabel, Y.-L. Huang,
H. Hasse & J. Vrabec (2010). Molecular modeling of
hydrogen bonding fluids: Vapor-liquid coexistence and
interfacial properties. In Nagel et al. (editors),
High Performance Computing in Science and Engineering '09, Transactions of the High Performance Computing Center
Stuttgart (HLRS): 471-483. Springer, Heidelberg (ISBN
978-3-6412-04664-3).
- M. Horsch, S. Miroshnichenko & J. Vrabec (2009). Steady-state molecular dynamics
simulation of vapour to liquid nucleation with McDonald's
dæmon. Жypнaл
Фiзичниx
Дocлiджeнь 13: 4004.
- M. Horsch & J. Vrabec (2009). Grand canonical steady-state
simulation of nucleation. Journal of Chemical
Physics 131: 184104.
- M. Horsch, J. Vrabec, M. Bernreuther & H. Hasse (2009). Poiseuille flow of liquid methane in
nanoscopic graphite channels by molecular dynamics
simulation. In Hanjalić et al. (editors), Proceedings of the International Symposium Turbulence, Heat
and Mass Transfer 6: 89-92. Begell House, New York (ISBN
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Forelesingsnotat (lecture notes)
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