1. Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, and Chemical & Biological Engineering, Northwestern University, Evanston, Illinois 60208