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MAPS platform

Materials Processes and Simulations (MAPS) gives researchers access to powerful building, visualization and analysis tools in a single user interface together with access to multiple simulation engines.

Chemical structures can be read from many common file formats and experimental results shared via a single XML document.

In other words, MAPS provides a complete platform for molecular modeling in material science.

MAPS client provides a complete toolkit for materials modeling.

Visualization and sketching

  • 3D visualization and sketching with multiple undo
  • display options, labels and measurements
  • force-field based Optimizer

Builders

  • amorphous builder
  • crystal builder, surface builder, polymer builder
  • mesoscale builder

Analysis

  • graphs and charts
  • built-in property calculators
  • densities, electrostatic potentials, orbitals
  • animate trajectories, record movies, vibrational analysis

Workflow

  • project manager  shows what is loaded into this MAPS session
  • database manager shows what is available
  • property viewer shows standard and user-defined properties at all levels
  • job manager shows status of simulation tasks
  • choice of node-locked or floating license

Import/export

  • to the most commonly used file formats
  • to MAPS CML format for projects, molecules, experiments and study tables
  • to MAPS database [which enables sub-structure and property searching]
  • save images

Scripting and extensibility

  • built-in python API
  • launch python scripts from additional toolbar icons
  • integrate any materials simulation code by simply creating and loading the appropriate plug-in

 

Resources