Molecular dynamics simulations and ab-initio calculations

We have two dedicated workstations for computational research and access to supercomputers. I am not much help with conducting experiments, although I may be helpful in designing them.

Background & Research Interest
My ongoing interest is performing computational chemistry investigations in tandem with experimental collaborators. My lab is working on quantifying ionic partitioning in reverse micelles, dynamics of water confined in reverse micelles, and intermolecular interactions in asphaltene -inhibitor interactions. We employ machine learning, density functional theory, ab-initio calculations to carry out these investigations. Thank you,