Computers are also changing our lives. In every-day life, the most obvious changes come from improved communication and access to information. The incredible increases in computational speed, however, are also changing how research is done, because we can now model and simulate systems that would have been unthinkable just a few years ago. Modeling and simulation cut costs by focusing experiments on critical areas, e.g. in screening of materials; by providing new insights; and by creating frameworks in which diverse experimental results can be seen together in a coherent picture. Even with faster computers, however, there are many challenges in developing improved simulation techniques for more complex problems.

Our interdisciplinary research team is developing synthetic strategies for creating new materials, with precise molecular-level and meso-scale control. A strong component of our materials design is the use of molecular modeling. We also perform experiments to characterize the materials and test them in useful applications. In particular we are focused on nanoporous materials for catalysis, membrane separations, and energy storage. These three applications are all critical to improving the environment and reducing the impact of human activity on our world. For example, undesired, potentially harmful side products can be eliminated from chemical transformations by development of catalysts that guide reactants only toward the desired product molecule. Nanoporous materials may also provide the solution to effective storage of hydrogen, which is a critical step toward use of hydrogen as a clean-burning fuel.

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