These are key characteristics of the information systems revolution that is the World Wide Web. These benefits are such common currency that we tend to take them for granted, but they have enormous implications, not least for scientists. The Web adds a new dimension to research in general, and to computational research in particular. You could fill a small hard-disk drive by simply listing their applications, but we will limit this discussion to those uses that are relevant to chemists.
Simulation uses a computer to model, and thus understand, the behavior of a system.
Molecular simulation constructs models of molecular, or even electronic, structure and uses those models to visualize, explain, and predict the behavior of chemicals, materials, or biological compounds. These techniques, developed for the pharmaceutical industry, are now integral to every serious drug discovery program. Successful technology transfer and development has widened applications to include polymer science, organic and inorganic chemistry, and solid-state physics. Traditionally, users were specialized modeling groups, but use of the technology is increasingly widespread as methods have become validated, easier to use, and designed to function alongside experiments. Informatics directs and informs research decisions through the management, processing, and analysis of chemical and biological data.