Modeling New Materials

Arthi Jayaraman recently received a grant to build predictive molecular models of soft materials

UD Engineer Arthi Jayaraman Uncovers Molecular Mysteries

When scientists develop brand new materials, they must precisely determine the ingredients, quantities, and processing methods to use. It’s kind of like creating a recipe. Before spending time and money to test these recipes in a lab, scientists can first use computer simulations to see how the molecules in the ingredients will behave under changing conditions. However, as researchers invent increasingly innovative and complex materials, they need models and simulations that run for longer time scales, and offer resolutions at multiple length scales, than what is available. “New and better models are needed to address current challenges in materials design,” said Arthi Jayaraman, an associate professor in the Department of Chemical and Biomolecular Engineering and Department of Materials Science and Engineering at the University of Delaware. Jayaraman is building better models right here at UD. For this research, she along with collaborators Ryan Hayward of University of Massachusetts Amherst and Paul Butler of National Institutes of Standards and Technology have been awarded a $726,000 grant from the U.S. Department of Energy Office of Basic Energy Sciences.

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