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.

Polymers and Classical Simulation Software

Materials Studio's polymer and simulation modeling software allows you to construct and characterize models of isolated chains or crystalline and amorphous bulk polymers. Its prognostic abilities enable you to predict key properties, including miscibility and blending, cohesion and wetting, mechanical behavior, diffusion, and adhesion at surfaces. Applications include paints and coatings, lubricants, food packaging, gels, and adhesives.

  • Amorphous Cell: Develop an understanding of molecular properties and behavior, especially for liquids and amorphous polymers, with this versatile suite of computational tools. Predict and investigate properties such as cohesive energy density, equation-of-state behavior, chain packing and localized chain motions.
    Read: Amorphous Cell Datasheet
  • Blends: Predict phase diagrams and interaction parameters for liquid-liquid, polymer-polymer, and polymer-additive mixtures to study the structural factors affecting the behavior of blends and formulations.
    Read: Blends Datasheet
  • COMPASS: Accurately and simultaneously predict structural, conformational, vibrational, and thermophysical properties for a broad range of molecules in isolation and condensed phases, and under a wide range of temperature and pressure.
    Read: COMPASS Datasheet
  • Conformers: Characterize molecular conformation and flexibility, gain insight into geometric and energetic properties and probe geometry-property relationships, which have application in many fields including crystallization, catalysis, and polymer studies
    Read: Conformers Datasheet
  • Forcite: Quickly perform reliable geometry optimization of molecules and periodic systems and fast energy calculations with this advanced, classical molecular mechanics tool.
    Read: Forcite Datasheet
  • Forcite Plus: Extend the classical simulation tools of Forcite to include molecular dynamics, dynamics protocols, and analysis tools.
    Read: Forcite Plus Datasheet
  • GULP: Extend the range of materials and properties that can be studied with a wide range of materials force fields, from shell models for ionic systems to embedded atoms for metals to molecular mechanics force field support for covalent systems.
    Read: GULP Datasheet View: GULP References
  • Mesocite: Study mesoscale structured materials using coarse grained molecular dynamics and dissipative particle dynamics (DPD).
    Read: Mesocite Datasheet
  • MesoDyn: Study the dynamic nature of mesoscale structures, including polymer melts and blends.
    Read: MesoDyn Datasheet
  • Synthia: Calculate polymer properties using advanced Quantitative Structure-Property Relationships (QSPRs) allowing for rapidly screened candidate polymers for a wide range of properties as well as property prediction of copolymer blends.
    Read: SYNTHIA Datasheet

Learn More about:

Analytical and Crystallization 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.