Faculty Advisor: Yamil Colón, Department of Chemical and Biomolecular Engineering

Molecular Dynamics Simulations (Summer 2024)

In this research project, we delve into the complex world of molecular dynamics simulations, with a particular focus on how salts behave when dissolved in various solvents. The main goal is to decode the subtle complexities of these systems by meticulously building their free energy landscapes and understanding the mechanisms behind their dissociation processes. This work straddles the line between theoretical research and practical applications, providing a unique opportunity to explore the fundamental principles that govern molecular interactions. The student researcher will deeply engage with the nuances of molecular dynamics, mastering advanced sampling techniques and leveraging high-performance computing to dissect the intricacies of these molecular systems.