Our Unique Advantage

Atomic Works is a comprehensive platform for discovery of new materials and structures on molecular scale. Including an intuitive user interface, powerful molecular editor, fast DFT and MD solvers, and machine learning based discovery module, our software makes it possible to determine the most optimum molecular composition and structures for wide range of applications in drug discovery, power storage, chemical processing, semiconductor research and many other applications.

    • A well supported, comprehensive simulation platform with a commercial base and a long term vision
    • Discovery and optimization module, working together with our solvers offers a fast pathway to best molecular structures for a multitude of applications
    • Gives our customers the flexibility of a shorter R&D cycle and lower costs and allows to get products to market faster

Atomic Works Software suite includes:

  • Full analysis for metallic compounds and alloys
  • Simulation of deposition and coating processes
  • Carbon-based compound analysis
  • Coating properties and substrate interactions
  • Bio-chemical compound interaction analysis

Atomic Works Simulation

You can simulate under a wide range of conditions: thermal gradients, external pressure loads, electromagnetic fields, radiation, and all subsets of standard statistical ensembles

You will be able to define your product or process while using a wide array of post processing tools to get accurate, reliable and highly visual reports for the data you need most.

    • Software suite comes with fully developed geometry, solver, database and post processing modules - all seamlessly integrated into one package
    • Flexible CAD module allows you to define your product down to the last detail
    • All solvers rely on fast parallel processing routines to take full advantage of any computing environment from workstation to fully developed cluster system
    • Databases used by the software are optimized to use bid data sets


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