Users Group Meeting 2014

Oct 21-23, Philadelphia, PA

The MedeA Users Group Meeting was held in the core of Philadelphia.

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:

Scientifically, logistically, and aesthetically this was a delightful meeting, a chance to develop scientific and technical relationships and an opportunity to establish new development priorities for the future. The Materials Design team would like to thank everyone who attended this year's meeting and contributed to its success, and we look forward to 2015's meeting in Heidelberg, Germany.


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

David Reith, Hannes Schweiger, René Windiks, Marianna Yiannourakou - Materials Design

Computational Design and Experimental Verification of Zero- and Low-strain Cathode Materials for Solid-State Li-Ion Batteries

Fabio Rosciano - Toyota Motor Europa, Belgium

Simulation of nano-architectured electrodes for energy materials

Phuti Ngoepe - University of Limpopo, South Africa

Current challenges to density-functional calculations: complexity, correlations and dynamics

Jürgen Hafner - University of Vienna

High-Throughput MOPAC calculations and forcefield simulations for thermodynamic property predictions of chemicals and macromolecular systems

Philippe Ungerer, Xavier Rozanska, Marianna Yiannourakou - Materials Design

The application of CALPHAD based tools to the Materials Genome Initiative and ICME and the corresponding needs for data

Paul Mason - Thermocalc

Thermophysical Properties of Liquid Al Alloys Using Molecular Dynamics

Chao Jiang - Thermocalc

Building alloy models with compressive sensing

Gus Hart - Brigham Young University

Applications of UNCLE

Tobias Kerscher - Technical University Hamburg-Harburg

Multiscale Modeling with MedeA

Erich Wimmer - Materials Design

First-principles Calculations at Japan Fine Ceramics Center

Hiroki Moriwake - JFCC Nagoya

VASP: Past, Present, and Future

Martijn Marsmann - University of Vienna

Forcefield Simulations of Polymer Properties and Adhesion

Dave Rigby - Materials Design

New Development in MedeA

Clive Freeman - Materials Design