“Molecular Dynamics (MD) Simulations of Interfacial Effects and Solvation in Computational Energy Research”
By Dr. Mimi Liu, Ph.D. candidate of Chemical Physics at the University of Cincinnati

The phase transition, solubility, and other physical properties of ion solvation in liquids need to be studied by calculating the chemical potential and single-ion solvation free energy. Computational studies using molecular dynamics (MD) simulations would not only achieve these goals, but also help to advance/modify theories, design/develop the experiments, simulate models which are too difficult to perform under extreme conditions in experiments, which could also contribute to studies of pharmaceuticals, biochemistry, chemical physics, and soft condensed matter. My research is focused on studies of potential shift across liquid-vapor interfaces, free energy of single-ion solvation in water and molten salts, for the studies of sustainable energy and nuclear fission reactor.

Mimi Liu is a Ph.D. candidate of chemical physics at University of Cincinnati. Her primary research interests are in the application of computing and simulating technologies to problems relevant to liquids and interfaces. She is particularly interested in understanding the physical properties and dynamics at molecular level, and developing force field for advancing simulation models. Other work focuses on the design of serious games, to use interactive media in an educational and evangelical way.