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Name: Bryan M. Wong
Organization: University of California, Riverside
Role in MSEE URA: RA2 – Materials and Manufacturing for Synergistic Effects

How you are planning to work (or already working) with other researchers within the URA?

The Wong group will carry out ab initio molecular dynamics calculations of these chemical species at elevated temperatures. Conventional density functional theory (DFT) calculations cannot provide a description of reactivity in high-temperature/energetic environments since these are typically carried out at zero Kelvin. To overcome this static description, researchers in the Wong group will utilize Born-Oppenheimer Molecular Dynamics (BOMD) calculations to simulate the effect of how thermalized species can enhance or prevent desired reactivity in energized environments.