RIMI: Computational Studies of Surfaces and Clusters Using Density-Functional Theory, Molecular-Dynamics and Wavelet Transform Techniques

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9450386 The proposed research would support investigations with respect to surface structure and dynamics of transition metal surfaces as well as larger fullerenes and their variants. The proposal seeks to enhance the inter-disciplinary interactions between the molecular dynamics group and the wavelet based methods for signal and image processing group that are part of the Center for Theoretical Studies of Physical Systems. The proposed work would have an impact on the training of minority undergraduate, graduate and post-graduate students in physics and chemistry.