MedeA Nanobuilder - There’s Plenty of Room at the Bottom!

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.


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

  • Expands the reach of atomistic simulations to include complex nanoscale assemblies
  • Seamlessly integrates with other MedeA Builders, MedeA workflows, and MedeA compute engines

MedeA Nanobuilder: user-friendly builder for nanoparticles, nanotubes, and nanowraps

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.

Key Features

  • 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

MedeA Nanobuilder in Action


MedeA Nanobuilder screenshots: building spherical nanoparticles, controlling bond passivation, designing single-wall and nested multi-wall carbon nanotubes


MedeA Nanobuilder integration with Amorphous Builder: nanotubes in solution

Required Modules

  • MedeA Environment

Supported Modules

  • MedeA LAMMPS
  • MedeA VASP
  • MedeA MOPAC
  • MedeA Molecular Builder
  • MedeA Polymer Builder
  • MedeA Amorphous Materials Builder

Find Out More

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.