Makenzie's paper published in J. Phys. Chem. B shows how to more accurately model processes (such as electronic excitation) in solution by combining a quantum mechanical treatment of solvent molecules near to the active site with a polarizable continuum model.
1st year grad students Karnamohit Ranka and Paniz Rahmani join the group. Welcome! Karnamohit brings expertise in electronic structure methods from his time in Rod Bartlett's group at QTP. Paniz is rotating through the group while she decides if she wants to jump away from her previous experience studying hydrogen tunneling in enzymes into the world of simulations and computational chemistry.