Users Group Meeting 2015

September 8-11, Heidelberg, Germany

The MedeA Users Group Meeting was held in the center of historic Heidelberg.

The meeting began with a workshop providing introductory and immersion level hands-on training in the MedeA® simulation environment. In addition to the established and unique array of MedeA® capabilities, you find the vast gamut from exciting new developments in academia to real world applications in industry, highlighting the wide application range of the methods and tools provided.


We have summarized here the meeting agenda. Please log on to see links to selected presentations. If you have questions or are interested in a presentation, but you are not a customer yet, please contact us at

MedeA Training Workshop

Hannes Schweiger, Maria Entrialgo-Castaño, David Reith, René Windiks - Materials Design

MedeA Training Workshop

Hannes Schweiger, Maria Entrialgo-Castaño, David Reith, René Windiks - Materials Design

Quantum Chemistry @ BASF

Imke Müller, Ansgar Schäfer - BASF

From Atoms to Cars: Atomistic Modeling at Volkswagen Group Research

Tanja Graf, Thomas Schladt - Volkswagen Group Research

Using Computational chemistry to tune MOFs propertiesL Exploring linker modifications and functionalization for enhanced (photo)catalytic performance

Caroline Mellot-Draznieks - Collège de France

Phase Transitions in Metastable β Ti-Mo Alloys

Niraj Gupta, Srinivasan G. Srivilliputhur - University of North Texas, Denton

Simulation of Materials for Batteries

Phuti Ngoepe - University of Limpopo, South Africa

Molecular Modleing and Simulation with Forcefields: From Academic Research to Industrial Applications

Hans Hasse - TU Kaiserslautern, Germany

COSMO-RS as a Complementary Method to Atomistic Simulation: Strengths and Limitations

Andreas Klamt - COSMOlogic

A worked example of how computational chemistry can help in solving an important and difficult problem

James J P Stewart - Stewart Computing

Property Prediction of Electronic Materials

Volker Eyert, Mikael Christensen - Materials Design

VASP: Getting Ready for the Future

Martijn Marsmann, Georg Kresse - University of Vienna, Austria

Simulation of Catalytic Systems with MedeA

Xavier Rozanska - Materials Design

Simulation of Fluids and Fluid/Solid Interaction with MedeA

Marianna Yiannourakou - Materials Design

Summary of New Features in MedeA 2.18

Clive Freeman - Materials Design