According to the company, Materials Studio 4.4 extends its multiscale modeling capabilities by introducing new functionality in the areas of mesoscale modeling and quantum mechanics that increase research productivity by extending the range of materials that can be simulated.
Accelrys said that its Materials Studio includes Mesocite, a new module that is expected to further expand mesoscale modeling capabilities. Mesocite is expected to enable the simulation of particles incorporating ring structures, electrostatics and allows users to incorporate more chemical details in mesoscale simulations than previously available. Mesocite provides an intermediate-level of simulation between the fine-grained atomistic models and the coarse-grained Mesotek models.
Materials Studio also includes an enhanced version of Mesotek, a next-generation field-based mesoscale application enabling users to model complex materials in the fields of nanomaterials, polymers and organic chemistry, the company said. Mesotek now is expected to allow the simulation of nanoparticles in soft materials at length scales up to micrometers thus enabling morphology predictions for nanocomposites, which helps solve a broader range of real-world problems, added Accelrys.
Mark Emkjer, president and CEO of Accelrys, said: By providing a complete multiscale modeling environment, Materials Studio 4.4 extends our customers’ modeling and simulation capabilities to a wider range of materials and properties than ever before. When combined with our advanced analytics and data integration platform, we create flexible, customizable and integrated scientific business intelligence solutions that help our customers improve their research productivity by solving key problems enabling them to remain competitive and keep up with the constant changing demands in their respective industries.