:orphan: .. status publishable .. product Nanobuilder .. sectionauthor Alexander .. SME Alexander .. PR Benoit M. .. TW Kathy .. date 2018 .. _NanoBuilderDTS: |medea| |nanobuilder| - There's Plenty of Room at the Bottom! ------------------------------------------------------------- .. only:: latex |partofmedeaenv_latex| .. only:: html |partofmedea| 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. .. admonition:: **At-a-Glance** With the |medea|\ :sup:`®`\ [#TM]_ *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 .. figure:: /Datasheets/images/NanoBuilder_slide6.png :align: center |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| |molecularbuilder| 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 :myquote:`There's plenty of room at the bottom` :myquotee:`Richard Feynman, 1959` |medea| |nanobuilder| in Action ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. figure:: /Datasheets/images/NanoBuilder_slide3a.png :align: center |medea| |nanobuilder| screenshots: building spherical nanoparticles, controlling bond passivation, designing single-wall and nested multi-wall carbon nanotubes .. figure:: /Datasheets/images/NTC2.png :align: center |medea| |nanobuilder| integration with Amorphous Builder: nanotubes in solution Required Modules ^^^^^^^^^^^^^^^^ * |medea| |menvironment| Supported Modules ^^^^^^^^^^^^^^^^^ * |medea| |mlammps| |mstdenv| * |medea| |mvasp| * |medea| |mmopac| * |medea| |mgaussiangui| * |medea| |amorphousbuilder| .. add for a column break, adjust where needed .. raw:: latex \newpage Find Out More ^^^^^^^^^^^^^ Learn more about |medea| features and capabilities: |databases|, |builders|, |engines|, |urlforcefields|, |modules|, |urlanalysis|, and |highthroughput|. Watch our |webinars| on |medea| for related topics in computational materials design and materials engineering. .. [#TM] |regTMinfo| .. only:: html :download: :download:`pdf `