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Connecting Chemistry, Mechanics for Better Batteries

At the Materials Simulation for Clean Energy (MSCE) Lab, Yue Qi and her group develop multi-scale simulation methods to design materials, atom by atom.

Qi, associate professor of Chemical Science and Material Engineering, uses the capabilities of MSU’s High Performance Computing Center to simulate how the mechanical properties of lightweight metals change in gas and liquid environments, starting from their atomic interactions.

By modeling how electron and ion transport behaves in complex materials and interphases, she and her group are trying to design new materials and optimize operating conditions for advanced Li-ion batteries and solid oxide fuel cells. The goal is to develop new tool coatings and manufacturing processes for these materials, which are critically important for an energy-efficient and sustainable transportation industry.

– from the Michigan State University Institute for Cyber-Enabled Research

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