- Research Program Mentor
PhD Doctor of Philosophy candidate
STEM education, chemical engineering, environmental engineering, biomolecules, molecular self-assembly, carbon storage and cycling, aquatic microorganisms
Contaminants in the Environment
Molecular Dynamics (MD) simulations is a powerful tool that is consistently used to elucidate the molecular origin of observed phenomena. In the field of environmental science and engineering, the molecular insight obtained through MD simulations is of particular importance for developing predictive capabilities of how certain chemical species like heavy metals or organic contaminants might behave in the natural environment. For instance, MD simulations have been instrumental in understanding how the acutely toxic PFOA and PFOS (toxic above 70 parts per trillion) bind to natural soils. In this project, you and I will 1) conduct a literature review to determine a species of contaminant that is ripe for investigation using MD simulations; 2) design an MD simulation to elucidate the interaction of the chosen contaminant with an environmental system; 3) compile and summarize our research findings into a publishable paper.