Formulations and QSAR Formulation, the mixing of materials to achieve a new or improved product, is practised in many different industries, including paints and dyes, foods, personal care, detergents, plastics, and pharmaceutical development. Materials Characterization and Design is the critical first step in most materials science and chemistry projects. Simulation is used by spectroscopists and crystallographers to simulate and analyze this data. Polymers and Colloids Polymers form the basis of the plastics industry. Understanding their structure and properties is critical to industrial applications including packaging, structural materials, contact lenses, textiles, and fibres.
Colloidal systems are suspensions of solid matter in liquids.
Their study is relevant to products such as shampoos, detergents, and foodstuffs. Their chemistry and blending behaviour poses similar problems to those posed by polymers. Solid State and Surface Chemistry Solid state materials, such as semiconductors, non-linear optical materials, metal oxides, glasses, and ceramics are critical to technologically significant problems in industries including chemicals, petrochemicals electronics, and aerospace. Electronic properties and structure and behavior at surfaces and interfaces are of particular importance. Simulation methods, particularly quantum mechanics, provide invaluable insight into these materials.