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Work in condensed matter theory covers several broad areas.

This work is closely coupled to the experimental work of Professor Kelton's group on Ti-based quasicrystals. In the simulations, candidate structures for quasicrystals and "rational approximants" (large unit-cell crystals with local structures similar to those of quasicrystals) are generated using canonical-cell methods. The candidate structures are relaxed on the basis of the interatomic forces. It is hoped that this work can contribute to the effort to find better hydrogen-storing quasicrystals.