Jadran Vrabec

35 papers C 2Misc 1Journal 21Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Cyclic Data Streaming on GPUs for Short Range Stencils Applied to Molecular Dynamics.
CoRR
Martin Rose, Simon Homes, Lukas Ramsperger, José Gracia, Christoph Niethammer, Jadran Vrabec
2025 J jnl
ms2: A molecular simulation tool for thermodynamic properties, release 5.0.
Comput. Phys. Commun.
Isabel Nitzke, Gabriela Guevara-Carrion, Denis Saric, Simon Homes, Simon Stephan, Robin Fingerhut, Martin Bernreuther, Hans Hasse, Jadran Vrabec
2023 C conf
Epistemic Metadata for Computational Engineering Information Systems.
FOIS
Martin Thomas Horsch, Silvia Chiacchiera, Gabriela Guevara-Carrión, Maximilian Kohns, Erich A. Müller, Denis Saric, Simon Stephan, Ilian T. Todorov, Jadran Vrabec, Björn Schembera
2021 J jnl
AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning.
J. Comput. Sci.
Steffen Seckler, Fabio Alexander Gratl, Matthias Heinen, Jadran Vrabec, Hans-Joachim Bungartz, Philipp Neumann
2021 J jnl
Comparison of macro- and microscopic solutions of the Riemann problem II. Two-phase shock tube.
J. Comput. Phys.
Timon Hitz, Steven Jöns, Matthias Heinen, Jadran Vrabec, Claus-Dieter Munz
2020 J jnl
Comparison of macro- and microscopic solutions of the Riemann problem I. Supercritical shock tube and expansion into vacuum.
J. Comput. Phys.
Timon Hitz, Matthias Heinen, Jadran Vrabec, Claus-Dieter Munz
2019 J jnl
Semantic interoperability and characterization of data provenance in computational molecular engineering.
CoRR
Martin Thomas Horsch, Christoph Niethammer, Gianluca Boccardo, Paola Carbone, Silvia Chiacchiera, Mara Chiricotto, Joshua D. Elliott, Vladimir Lobaskin, Philipp Neumann, Matthew Schiffels, Michael Seaton, Ilian T. Todorov, Jadran Vrabec, Welchy Leite Cavalcanti
2019 J jnl
Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment.
J. Chem. Inf. Model.
Simon Stephan, Monika Thol, Jadran Vrabec, Hans Hasse
2019 J jnl
TweTriS: Twenty trillion-atom simulation.
Int. J. High Perform. Comput. Appl.
Nikola Tchipev, Steffen Seckler, Matthias Heinen, Jadran Vrabec, Fabio Alexander Gratl, Martin Horsch, Martin Bernreuther, Colin W. Glass, Christoph Niethammer, Nicolay Hammer, Bernd Krischok, Michael Resch, Dieter Kranzlmüller, Hans Hasse, Hans-Joachim Bungartz, Philipp Neumann
2018 — conf
Understanding the Scalability of Molecular Simulation Using Empirical Performance Modeling.
ESPT/VPA@SC
Sergei Shudler, Jadran Vrabec, Felix Wolf
2017 J jnl
ms2: A molecular simulation tool for thermodynamic properties, release 3.0.
Comput. Phys. Commun.
Gábor Rutkai, Andreas Köster, Gabriela Guevara-Carrion, Tatjana Janzen, Michael Schappals, Colin W. Glass, Martin Bernreuther, Amer Wafai, Simon Stephan, Maximilian Kohns, Steffen Reiser, Stephan Deublein, Martin Horsch, Hans Hasse, Jadran Vrabec
2016 J jnl
Assessing the accuracy of improved force-matched water models derived from
J. Comput. Chem.
Andreas Köster, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, Thomas D. Kühne
2016 — conf
Insight into the Nature of Evaporation Processes Enabled by Massively Parallel Molecular Dynamics Simulations.
HiPC Workshops
Matthias Heinen, R. Chatwell, Jadran Vrabec
2015 J jnl
ms2: A molecular simulation tool for thermodynamic properties, new version release.
CoRR
Colin W. Glass, Steffen Reiser, Gábor Rutkai, Stephan Deublein, Andreas Köster, Gabriela Guevara-Carrion, Amer Wafai, Martin Horsch, Martin F. Bernreuther, Thorsten Windmann, Hans Hasse, Jadran Vrabec
2014 J jnl
ls1 mardyn: The massively parallel molecular dynamics code for large systems.
CoRR
Christoph Niethammer, Stefan Becker, Martin Bernreuther, Martin Buchholz, Wolfgang Eckhardt, Alexander Heinecke, Stephan Werth, Hans-Joachim Bungartz, Colin W. Glass, Hans Hasse, Jadran Vrabec, Martin Horsch
2014 J jnl
ms2: A molecular simulation tool for thermodynamic properties, new version release.
Comput. Phys. Commun.
Colin W. Glass, Steffen Reiser, Gábor Rutkai, Stephan Deublein, Andreas Köster, Gabriela Guevara-Carrion, Amer Wafai, Martin Horsch, Martin Bernreuther, Thorsten Windmann, Hans Hasse, Jadran Vrabec
2013 C conf
591 TFLOPS Multi-trillion Particles Simulation on SuperMUC.
ISC
Wolfgang Eckhardt, Alexander Heinecke, Reinhold Bader, Matthias Brehm, Nicolay Hammer, Herbert Huber, Hans-Georg Kleinhenz, Jadran Vrabec, Hans Hasse, Martin Horsch, Martin Bernreuther, Colin W. Glass, Christoph Niethammer, Arndt Bode, Hans-Joachim Bungartz
2013 J jnl
Computational Molecular Engineering as an Emerging Technology in Process Engineering.
it Inf. Technol.
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
2013 J jnl
Computational molecular engineering as an emerging technology in process engineering
CoRR
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
2013 — ch.
Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces.
High Performance Computing in Science and Engineering
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein, Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, Hans Hasse
2013 J jnl
Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces
CoRR
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein, Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, Hans Hasse
2013 — ch.
Surface Tension, Large Scale Thermodynamic Data Generation and Vapor-Liquid Equilibria of Real Compounds.
High Performance Computing in Science and Engineering
Stefan Eckelsbach, Svetlana Miroshnichenko, Gábor Rutkai, Jadran Vrabec
2012 Misc conf
Numerical Simulation of the Damping Behavior of Particle-Filled Hollow Spheres.
HPSC
Tobias Steinle, Jadran Vrabec, Andrea Walther
2011 — ch.
Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models.
High Performance Computing in Science and Engineering
Jonathan Walter, Stephan Deublein, Steffen Reiser, Martin Horsch, Jadran Vrabec, Hans Hasse
2011 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids.
High Performance Computing in Science and Engineering
Stefan Eckelsbach, Martin Bernreuther, Cemal Engin, Gabriela Guevara-Carrion, Yow-Lin Huang, Thorsten Merker, Hans Hasse, Jadran Vrabec
2011 J jnl
Software design for a highly parallel molecular dynamics simulation framework in chemical engineering.
J. Comput. Sci.
Martin Buchholz, Hans-Joachim Bungartz, Jadran Vrabec
2011 J jnl
ms2: A molecular simulation tool for thermodynamic properties.
Comput. Phys. Commun.
Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, Jadran Vrabec
2010 J jnl
Assessment of numerical optimization algorithms for the development of molecular models.
Comput. Phys. Commun.
Marco Hülsmann, Jadran Vrabec, Astrid Maaß, Dirk Reith
2010 J jnl
GROW: A gradient-based optimization workflow for the automated development of molecular models.
Comput. Phys. Commun.
Marco Hülsmann, Thorsten Köddermann, Jadran Vrabec, Dirk Reith
2010 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence.
High Performance Computing in Science and Engineering
Jadran Vrabec, Gabriela Guevara-Carrion, Thorsten Merker, Hans Hasse
2010 — conf
Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation.
CHPC
Martin Thomas Horsch, Svetlana Miroshnichenko, Jadran Vrabec, Colin W. Glass, Christoph Niethammer, Martin F. Bernreuther, Erich A. Müller, George Jackson
2008 — ch.
Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures.
High Performance Computing in Science and Engineering
Bernhard Eckl, Martin Horsch, Jadran Vrabec, Hans Hasse
2008 — ch.
Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols.
High Performance Computing in Science and Engineering
Thorsten Merker, Gabriela Guevara-Carrion, Jadran Vrabec, Hans Hasse
2007 J jnl
Visual Verification and Analysis of Cluster Detection for Molecular Dynamics.
IEEE Trans. Vis. Comput. Graph.
Sebastian Grottel, Guido Reina, Jadran Vrabec, Thomas Ertl
2006 — ch.
Molecular Modeling of Hydrogen Bonding Fluids.
High Performance Computing in Science and Engineering
Thorsten Schnabel, Jadran Vrabec, Hans Hasse