Informatics for Nanomaterials Discovery and Design

Rajan, Krishna. (2010) Informatics for Nanomaterials Discovery and Design. In: Nanoinformatics 2010, November 3 - 5, 2010, Arlington, VA. (Unpublished)

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Abstract

CoSMIC (Combinatorial Sciences and Materials Informatics Collaboratory- http://cosmic.mse.iastate.edu) is an international collaborative research program focused on data driven discovery in materials science. Its central research theme is to develop new computational and experimental ways of accelerated mechanistic based discovery and design of materials using informatics methods. In this presentation, we describe activities of this center that are focused specifically in the field of nanosciences. Examples of our research activities include research in how informatics can be used to elucidate nanoscale mechanisms in materials, develop a rational design strategy for new nanomaterials, and enhance the quantitative analysis of spectral and imaging data at the nanoscale. Applications of the research include discovering new nanocluster chemistries of materials, extracting pico-scale information from high resolution imaging and other characterization techniques, and integrating nanomaterials data curation with informatics. Keeping with the pervasive theme of this meeting in the fields of health and environmental issues related to nanotechnology as well as nanomanufacturing, we shall highlight CoSMIC’s work in using informatics to advancing critical materials problems in these fields. CoSMIC also serves as an education portal specifically for introducing informatics concepts in the field of materials science as well as training and research workshop activities around the world.

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