Materials Science at MSI

Keith M. Glassford, Molecular Simulations Inc.

The advances in theoretical and computational methods combined with the rapid progress in computer hardware has now made it possible to investigate the material properties from the sub-atomic scale, through the atomic and molecular scale, up to the mesoscale level. MSI will discuss how computer modeling can help scientists and engineers predict material properties, design and characterize new materials, and optimize existing processes using molecular modeling software. The focus will be towards the chemical and materials industry using MSI's software to understand the chemistry and physics of molecules, polymers and bulk materials using various simulation strategies ranging from force fields to first principles quantum mechanics.