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 info@materialsdesign.com

 

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

David Rigby - Materials Design

 

New Development in MedeA

Clive Freeman - Materials Design

 

 

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