Rob Phillips Modeling the Stuff
نویسنده
چکیده
neering in which a host of complex problems ranging from weather prediction to the microstructural evolution of multiphase alloys to the DNA/protein interactions that mediate gene regulation could be explored explicitly using computer simulation. Indeed, some say that the physical sciences are now based on a triumvirate of experiment, theory, and simulation, with simulation complementing more traditional techniques for understanding problems involving many interacting degrees of freedom. One class of problems for which simulation is increasingly important is associated with the understanding and control of materials. When we speak of materials, we mean “stuff” as diverse as the materials of which man is made (soft, squishy stuff) and technologies (stuff with desirable properties, such as strength or conductivity) (Amato, 1997). Clearly, the use of computation to understand and even design complex materials is one of the major challenges that will make it possible to replace the enlightened empiricism that gave rise to the great material ages (e.g., the Iron Age, Bronze Age, and silicon-based Information Age) with rational design. Similar roles are anticipated for simulation in many other fields as well. One of the flagship techniques for examining problems involving complex materials is molecular dynamics in which the microscopic trajectories of each and every atom are followed explicitly. Despite their promise, Rob Phillips is a professor of
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