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MedeA® Workshop - Bordeaux, France

Materials and molecular properties from atomistic simulations: Overview and application examples using the MedeA®software platform for research and teaching

Venue: University of Bordeaux

When: 14 November 2014



In this workshop, we will discuss MedeA®software functionality in the context of research and teaching applied to solids, molecules, and fluids and to interfaces between these. In particular, we will address atomistic simulations based on the well-known first-principle DFT code VASP (Vienna Ab-Initio Simulation Package), the molecular dynamics code LAMMPS, and the semiempirical electronic structure code MOPAC. Applications related to ceramic composite constituent materials and organic crystals include molecular crystals, dynamics of nanoparticles on surfaces and defect migration, as well as magnetic properties. Teaching applications focus on illustrative examples, interactive building and graphical analysis. The application examples discussed during this workshop span a wide range of properties from molecular thermochemistry, optical spectra, IR/RAMAN spectra and NMR experiments via solid-state electronic transport to mechanical-, thermal-, and physical properties of solids, fluids and molecules.

The MedeA®software platform integrates state-of-the-art numerical computer programs (e.g. VASP, Phonon, Gibbs, LAMMPS, MOPAC) with experimental structure databases (ICSD, Pauling, Pearson, NCD) and sophisticated graphical building and analysis tools.

Participation is free of charge and the number of participants is limited. For more information or to register, please contact medea-workshop-bordeaux2014(at)



We hope to see you there!

Publish while: 
2014 Oct 12 - 15 - 2014 Nov 14 - 15

News & Views

Erich Wimmer will give an invited talk at this year's MRS in Boston Nov 27-Dec 2, 2016

Our thoughts and prayers are with a valued colleague's family

This year's UGM was held in Seattle, Washington

Amorphous Materials Builder, HT Launchpad, VASPsol

Three different times on April 5th, 6th and 7th

Feb 23-24, San Jose, CA