Guido Reina

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We present a novel visualization method for mono-and dipolar molecular simulations from thermodynamics that takes advantage of modern graphics hardware to interactively render specifically tailored glyphs. Our approach allows domain experts to visualize the results of molecular dynamics simulations with a higher number of particles than before and(More)
Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical properties, as well as a replacement for, or complement to, costly and dangerous experiments. With the increasing availability of computational power the resulting data sets are(More)
A current research topic in molecular thermodynamics is the condensation of vapor to liquid and the investigation of this process at the molecular level. Condensation is found in many physical phenomena, e.g. the formation of atmospheric clouds or the processes inside steam turbines, where a detailed knowledge of the dynamics of condensation processes will(More)
We propose a new approach for the visualization of hyperstreamlines, which offers potential for better scalability than the conventional polygon-based approach. Our method circumvents the bandwidth bottleneck between the CPU and GPU by transmitting a small set of parameters for each tube segment and generates the surface directly on the GPU using the(More)
Particle-based simulations are a popular tool for researchers in various sciences. In combination with the availability of ever larger COTS clusters and the consequently increasing number of simulated particles the resulting datasets pose a challenge for real-time visualization. Additionally the semantic density of the particles exceeds the possibilities of(More)
Metal oxides are important for many technical applications. For example alumina (aluminum oxide) is the most commonly-used ceramic in microelectronic devices thanks to its excellent properties. Experimental studies of these materials are increasingly supplemented with computer simulations. Molecular dynamics (MD) simulations can reproduce the material(More)
Visualization applications nowadays not only face increasingly larger datasets, but have to solve increasingly complex research questions. They often require more than a single algorithm and consequently a software solution will exceed the possibilities of simple research prototypes. Well-established systems intended for such complex visual analysis(More)