BIOVIA Materials Studio

Solve key materials and chemical research problems with an integrated, multi-scale modeling environment that delivers a complete range of simulation methods.

Analytical and Crystallization Software

Materials Studio's analytical and crystallization software helps investigate, predict, and modify crystal structure and crystal growth. You can simulate particle morphology, predict crystal structure and understand polymorphism, study surface interactions, and design growth mediating additives. Applications include drug candidates, pigments, scale inhibition and explosives.

  • Morphology: Predict crystal morphology from the atomic structure of a crystal, develop tailor-made additives and control solvent and impurity effects.
    Read: Materials Studio Morphology Datasheet
  • Motif: Analyze connectivity information and categorize and score proposed structures. Motif answers the important question -- do molecules with comparable architecture crystallize in similar bonding configurations as a proposed new structure?
    Read: Materials Studio Motif Datasheet
  • Polymorph Predictor: Predict potential polymorphs of a given compound from the molecular structure, study fairly rigid, ionic and non-ionic molecules, and gain vital input for compound patenting and registration.
    Read: Materials Studio Polymorph Predictor Datasheet
  • Reflex: Simulate X-ray, neutron and electron powder diffraction, determine crystal structure, assist the interpretation of diffraction data and validate the results of experiments and computation.
    Read: Materials Studio Reflex Datasheet
  • Reflex Plus: Add Powder Solve technology to the Reflex functionality for a complete package for the determination of crystal structures from medium- to high-quality powder diffraction data.
    Read: Materials Studio Reflex Plus Datasheet
  • Reflex QPA: Determine the relative proportion of different phases, including both inorganic as well as organic systems, in a mixture based on powder diffraction data.
    Read: Materials Studio Reflex QPA Datasheet
  • X-Cell: Obtain medium- to high-quality powder diffraction data from X-ray, neutron, and electron radiation sources with this novel and robust indexing algorithm.
    Read: Materials Studio X-Cell Datasheet

Learn More about:

Polymers and Classical Simulation Software

Quantum and Catalysis Software

Visualization and Statistics Software

Materials Science Collections for Pipeline Pilot

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Materials Studio Search Tool Tops 25,000 References

Want to see if your material has been studied using BIOVIA Materials Studio? Now you can search over 25,000 indexed references in the Materials Studio reference database. Type in any material or topic you are working on to see if others have studied it using Materials Studio.