Jadran Vrabec

Publication Activity (10 Years)

Years Active: 2007-2023
Publications (10 Years): 12

Top Topics

Design Requirements

Data Provenance

Molecular Dynamics

Top Venues

Comput. Phys. Commun.

J. Comput. Phys.

Publications

Martin Thomas Horsch, Silvia Chiacchiera, Gabriela Guevara-Carrión, Maximilian Kohns, Erich A. Müller, Denis Saric, Simon Stephan, Ilian T. Todorov, Jadran Vrabec, Björn Schembera
Epistemic Metadata for Computational Engineering Information Systems. FOIS (2023)
Steffen Seckler, Fabio Alexander Gratl, Matthias Heinen, Jadran Vrabec, Hans-Joachim Bungartz, Philipp Neumann
AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning. J. Comput. Sci. 50 (2021)
Timon Hitz, Steven Jöns, Matthias Heinen, Jadran Vrabec, Claus-Dieter Munz
Comparison of macro- and microscopic solutions of the Riemann problem II. Two-phase shock tube. J. Comput. Phys. 429 (2021)
Robin Fingerhut, Gabriela Guevara-Carrion, Isabel Nitzke, Denis Saric, Joshua Marx, Kai Langenbach, Sergei Prokopev, David Celný, Martin Bernreuther, Simon Stephan, Maximilian Kohns, Hans Hasse, Jadran Vrabec
2: A molecular simulation tool for thermodynamic properties, release 4.0. Comput. Phys. Commun. 262 (2021)
Timon Hitz, Matthias Heinen, Jadran Vrabec, Claus-Dieter Munz
Comparison of macro- and microscopic solutions of the Riemann problem I. Supercritical shock tube and expansion into vacuum. J. Comput. Phys. 402 (2020)
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
Semantic interoperability and characterization of data provenance in computational molecular engineering. CoRR (2019)
Simon Stephan, Monika Thol, Jadran Vrabec, Hans Hasse
Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment. J. Chem. Inf. Model. 59 (10) (2019)
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
TweTriS: Twenty trillion-atom simulation. Int. J. High Perform. Comput. Appl. 33 (5) (2019)
Sergei Shudler, Jadran Vrabec, Felix Wolf
Understanding the Scalability of Molecular Simulation Using Empirical Performance Modeling. ESPT/VPA@SC (2018)
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
ms2: A molecular simulation tool for thermodynamic properties, release 3.0. Comput. Phys. Commun. 221 (2017)
Andreas Köster, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, Thomas D. Kühne
molecular dynamics simulations. J. Comput. Chem. 37 (19) (2016)
Matthias Heinen, R. Chatwell, Jadran Vrabec
Insight into the Nature of Evaporation Processes Enabled by Massively Parallel Molecular Dynamics Simulations. HiPC Workshops (2016)
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
ms2: A molecular simulation tool for thermodynamic properties, new version release. CoRR (2015)
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
ls1 mardyn: The massively parallel molecular dynamics code for large systems. CoRR (2014)
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
ms2: A molecular simulation tool for thermodynamic properties, new version release. Comput. Phys. Commun. 185 (12) (2014)
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
Computational Molecular Engineering as an Emerging Technology in Process Engineering. it Inf. Technol. 55 (3) (2013)
Martin Horsch, Christoph Niethammer, Jadran Vrabec, Hans Hasse
Computational molecular engineering as an emerging technology in process engineering CoRR (2013)
Martin Horsch, Stefan Becker, Juan Manuel Castillo, Stephan Deublein, Agnes Fröscher, Steffen Reiser, Stephan Werth, Jadran Vrabec, Hans Hasse
Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces CoRR (2013)
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
591 TFLOPS Multi-trillion Particles Simulation on SuperMUC. ISC (2013)
Tobias Steinle, Jadran Vrabec, Andrea Walther
Numerical Simulation of the Damping Behavior of Particle-Filled Hollow Spheres. HPSC (2012)
Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, Jadran Vrabec
ms2: A molecular simulation tool for thermodynamic properties. Comput. Phys. Commun. 182 (11) (2011)
Martin Buchholz, Hans-Joachim Bungartz, Jadran Vrabec
Software design for a highly parallel molecular dynamics simulation framework in chemical engineering. J. Comput. Sci. 2 (2) (2011)
Marco Hülsmann, Thorsten Köddermann, Jadran Vrabec, Dirk Reith
GROW: A gradient-based optimization workflow for the automated development of molecular models. Comput. Phys. Commun. 181 (3) (2010)
Marco Hülsmann, Jadran Vrabec, Astrid Maaß, Dirk Reith
Assessment of numerical optimization algorithms for the development of molecular models. Comput. Phys. Commun. 181 (5) (2010)
Martin Thomas Horsch, Svetlana Miroshnichenko, Jadran Vrabec, Colin W. Glass, Christoph Niethammer, Martin F. Bernreuther, E. A. Müller, G. Jackson
Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation. CHPC (2010)
Sebastian Grottel, Guido Reina, Jadran Vrabec, Thomas Ertl
Visual Verification and Analysis of Cluster Detection for Molecular Dynamics. IEEE Trans. Vis. Comput. Graph. 13 (6) (2007)