- Our Capabilities
- Software
- MedeA®
- InfoMaticA
- Specialty Builders
- Analysis and Properties
- Electronics
- Mechanical/Thermal Properties
- Phonon - Thermodynamic Properties
- Transition State Search
- P3C Polymer Property Prediction using Correlations
- LAMMPS-Diffusion
- LAMMPS-Thermal conductivity
- LAMMPS-Viscosity
- Embedded Atom Potentials
- Forcefields
- ForcefieldOptimizer
- LAMMPS-CED
- MedeA Surface Tension
- MedeA-HT
- MedeA-Morphology
- Compute Engines
- JobServer
TaskServer - Climbing Length Scales
- Services
- Library
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