My current research focuses on the methodology development for free energy simulations for biomolecular systems. I am particularly interested in protein-ligand/protein-protein binding affinity predictions, protein functional conformation transitions, and protein folding. With our new method (orthogonal space tempering), we are able to use molecular dynamics simulations to achieve long-time scale events in biomolecules through actively overcoming both explicit and implicit barriers in the systems; this, in turn, allows us to achieve robust, accurate, and precise free energy calculations.