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SuperMUC will build a high pressure materials database.

Our computing project has just been accepted to run in the SuperMUC Petascale System. With more than 2.3 millions of computing cores at our disposition the grant in its first phase will serve to construct a database for materials under pressure. The project will runs until 2020 including a second phase with possible extension of …

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Structures of exohedrally decorated C60-Fullerenes

In our most recent publication we studied the exohedrally metal decorated carbon-fullerenes. These systems are a promising material for its good hydrogen adsorption (high concentrations and with optimal binding energies) properties. Since their geometry and type of coverage play a key role in determining the H2 adsorption mechanism, in this paper just accepted in Carbon …

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Searching hole-electron substitutional dopants for TCO technologies

The combination of optical transparency and high electrical conductivity enables transparent conductive oxide (TCO) materials to be used for a wide range of applications -from simple smart window coatings to OLEDs and futuristic see-through displays.  Doped tin-dioxide (SnO2) is an important semiconductor that is already used for these applications. However, in order to uncover the …

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Gravitational waves

Electromagnetic radiation is not longer the only way to probe the universe: Gravitational waves are in!  Gravitational waves are ‘ripples’ in the fabric of space-time caused by some of the most violent and energetic processes in the Universe. Albert Einstein predicted the existence of gravitational waves in 1916 in his general theory of relativity. Einstein’s …

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