MATHEMATICS, SIMULATION AND MODELLING

Accelrys Materials Studio 7.0

13 December 2013

Accelrys

Accelrys, a provider of scientific lifecycle management solutions, has announced the release of the Accelrys Materials Studio 7.0, a modelling and simulation environment for chemists, polymer scientists and other materials scientists.

The software enables scientists to simulate materials across a wide range of applications including pharmaceuticals, catalysts, polymers, composites, metals, alloys, batteries, fuel cells and more. The latest release contains enhancements in quantum mechanics, classical simulation, usability, visualisation and collaboration.

It also encourages project teams to model and evaluate materials performance and behaviour, by sharing best-practice protocols.

Accelrys Materials Studio 7.0 provides multi-scale modeling in a single unified environment supporting:

  • Advancements in solubility property prediction of solvents and polymers, new force-field types extending 'classical simulation' capabilities to include ionic liquids and improved parameters for heterocyclic systems, Increased electron transport prediction properties such as transmission and current-voltage curves; faster core performance enabling faster, more accurate studies.
  • Improved solubility property prediction provides understanding of solvation properties with implications for specialty chemicals, pharmaceuticals, consumer packaged goods and food & beverages. This helps scientists understand the properties of electronic materials such as organic light-emitting diodes enables the study of new materials in the areas of electronics and fuel cell development.
  • New script functionality and continued integration with the Accelrys Enterprise Platform and Accelrys Pipeline Pilot scientific workflow authoring application extends Materials Studio use enabling computational scientists to quickly create and deploy new tools and methods to other team members.

Accelrys Materials Studio enables scientists to perform highly complex materials research using multi-scale simulation methods to construct, manipulate and view models of molecules, crystalline materials, surfaces, polymers and mesoscale structures.

Also by understanding and predicting the relationships between a material's atomic and molecular structure, its properties and behaviors, materials scientists can develop better performing materials of all types.

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