Universities
Bringing the Best Thinking Together
At Materials Design, we work with leading universities around the world using our computational tools in areas ranging from nanostructures to hydrogen storage materials. We are tapped into the best minds working together to solve some of the greatest challenges that materials scientists and researchers are facing.
Current research topics within MedeA's scope include:
- Nanostructures
- Graphenes
- Spintronics
- Computational methods beyond standard DFT
- Strongly correlated systems
- Electronic properties of oxide/oxide interfaces
- Non-collinear magnetism
- Surface reactions and catalysis
- Diffusion in oxides
- Multiscale modeling
- Embedding method, QM/ MM schemes
- Modeling of solid/liquid interfaces
- Electron transport in nanostructures
- Photovoltaic materials
- Hydrogen storage materials
- Phase transition
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- Strength of Ni Grain Boundary and the Effect of Boron
- Crystal Structure of Glucose: Placing Hydrogen Atoms by Computations
- Chromium: Structure and Elastic Properties
- Cohesive Energy of Diamond
- Magnetic Moment of Iron
- Surface Reconstruction of Si(001)
- Interface Energy of Metal-Ceramic Interface Co/WC Using ab initio Thermodynamics
- CO Adsorption on a TiO₂ Surface
- Energy of Dissociative Chemisorption of SiH₄ on Si (001) Surface
- Convergence of Total Energy with Plane Wave Cutoff and k-Mesh: Mo, Al, and LiF