Synthetic chemistry methods and analytical devices are becoming increasingly powerful. As this happens, building and manipulating nanoscale structure models, and assembling individual atoms and molecular groups represents an essential and important step in constructing physically descriptive model systems.
At-a-Glance
With the MedeA ®[1] Nanobuilder, you construct nanometer-sized atomistic models using a comprehensive set of structural building parameters. Start from simple bulk or surface slab models, select from a list of intuitive design criteria, and build sophisticated nano-scale models within minutes!
Key Benefits
The MedeA Nanobuilder lets you transform crystal structures into nanospheres or nanocylinders easily. Or, construct various types of single-wall or multi-wall nanotubes or nanowraps, all with just a few mouse clicks. Nanobuilder output is passed directly to the MedeA Molecular Builder where you may further edit the structure, e.g. by adding functional groups, or pacifying by passivating dangling bonds.
Interactive GUI-based Builder
Intuitive design criteria guiding construction
- sphericity, chirality, rotation axes, nesting
Nanoparticles: spherical, cylindrical
Nanotubes: single wall, multiwall, nested, armchair, zigzag
Nanowraps: torus-shaped like layers and wraps
Control of dangling bonds
‘There’s plenty of room at the bottom’
Richard Feynman, 1959
Learn more about MedeA features and capabilities: Databases, Builders, Compute Engines, Forcefields, Property Modules, Analysis Tools, and High-Throughput.
Watch our Upcoming and Recorded Materials Design webinars on MedeA for related topics in computational materials design and materials engineering.
[1] | MedeA and Materials Design are registered trademarks of Materials Design, Inc. |
download: | pdf |
---|