Jadran Vrabec

Orcid: 0000-0002-7947-4051

According to our database1, Jadran Vrabec authored at least 32 papers between 2006 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2023
Epistemic Metadata for Computational Engineering Information Systems.
Proceedings of the Formal Ontology in Information Systems, 2023

2021
AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning.
J. Comput. Sci., 2021

Comparison of macro- and microscopic solutions of the Riemann problem II. Two-phase shock tube.
J. Comput. Phys., 2021

<i>ms</i>2: A molecular simulation tool for thermodynamic properties, release 4.0.
Comput. Phys. Commun., 2021

2020
Comparison of macro- and microscopic solutions of the Riemann problem I. Supercritical shock tube and expansion into vacuum.
J. Comput. Phys., 2020

2019
Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment.
J. Chem. Inf. Model., 2019

TweTriS: Twenty trillion-atom simulation.
Int. J. High Perform. Comput. Appl., 2019

Semantic interoperability and characterization of data provenance in computational molecular engineering.
CoRR, 2019

2018
Understanding the Scalability of Molecular Simulation Using Empirical Performance Modeling.
Proceedings of the Programming and Performance Visualization Tools, 2018

2017
ms2: A molecular simulation tool for thermodynamic properties, release 3.0.
Comput. Phys. Commun., 2017

2016
Assessing the accuracy of improved force-matched water models derived from <i>Ab initio</i> molecular dynamics simulations.
J. Comput. Chem., 2016

Insight into the Nature of Evaporation Processes Enabled by Massively Parallel Molecular Dynamics Simulations.
Proceedings of the 23rd IEEE International Conference on High Performance Computing Workshops, 2016

2014
ms2: A molecular simulation tool for thermodynamic properties, new version release.
Comput. Phys. Commun., 2014

ls1 mardyn: The massively parallel molecular dynamics code for large systems.
CoRR, 2014

2013
Computational Molecular Engineering as an Emerging Technology in Process Engineering.
it Inf. Technol., 2013

Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces
CoRR, 2013

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC.
Proceedings of the Supercomputing - 28th International Supercomputing Conference, 2013

Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces.
Proceedings of the High Performance Computing in Science and Engineering '13, 2013

Surface Tension, Large Scale Thermodynamic Data Generation and Vapor-Liquid Equilibria of Real Compounds.
Proceedings of the High Performance Computing in Science and Engineering '13, 2013

2012
Numerical Simulation of the Damping Behavior of Particle-Filled Hollow Spheres.
Proceedings of the Modeling, Simulation and Optimization of Complex Processes, 2012

2011
Software design for a highly parallel molecular dynamics simulation framework in chemical engineering.
J. Comput. Sci., 2011

ms2: A molecular simulation tool for thermodynamic properties.
Comput. Phys. Commun., 2011

Atomistic Simulations of Electrolyte Solutions and Hydrogels with Explicit Solvent Models.
Proceedings of the High Performance Computing in Science and Engineering '11, 2011

Molecular Modeling of Hydrogen Bonding Fluids: Phase Behavior of Industrial Fluids.
Proceedings of the High Performance Computing in Science and Engineering '11, 2011

2010
Assessment of numerical optimization algorithms for the development of molecular models.
Comput. Phys. Commun., 2010

GROW: A gradient-based optimization workflow for the automated development of molecular models.
Comput. Phys. Commun., 2010

Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation.
Proceedings of the Competence in High Performance Computing 2010, 2010

Molecular Modeling of Hydrogen Bonding Fluids: Transport Properties and Vapor-Liquid Coexistence.
Proceedings of the High Performance Computing in Science and Engineering '10, 2010

2008
Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols.
Proceedings of the High Performance Computing in Science and Engineering '08, 2008

Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures.
Proceedings of the High Performance Computing in Science and Engineering '08, 2008

2007
Visual Verification and Analysis of Cluster Detection for Molecular Dynamics.
IEEE Trans. Vis. Comput. Graph., 2007

2006
Molecular Modeling of Hydrogen Bonding Fluids.
Proceedings of the High Performance Computing in Science and Engineering, 2006


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