Welcome to the MGHPCC Virtual Booth

MIT

Predicting Kinetic Solvent Effects

Accurate chemical kinetic models are extremely powerful and valuable since they allow predictions about the impact of modifying a system.

The Green research group focuses on the central problem of reactive chemical engineering: quantitatively predicting the time evolution of chemical mixtures.

In this video, graduate student Yunsie Chung describes her work combining ab initio quantum chemical calculations, fundamental equations, and data-driven approaches to develop predictive models for kinetic and thermochemical parameters and construct detailed kinetic models based on predictions.

https://greengroup.mit.edu
Yunsie Chung
Graduate Student, Department of Chemical Engineering, MIT

Consortium

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