Objective

The goal of this work is to accelerate the understanding of nanomaterial interfaces through the use of advanced visualization techniques and visual environments. The Department of Energy has created Energy Frontier Research Centers (EFRCs) to research and develop solutions to the world’s energy crisis. New materials hold the keys to breakthroughs, and the characterization of how materials and material interfaces behave at the nanoscale is critical. Our team is involved in several efforts at Argonne involving collaboration between the visualization at MCS and materials science groups at CNM, MSD and CSE. In particular, these research initiatives are part of the Institute for Atom-Efficient Chemical Transformations and the Center for Electrical Energy storage, both Energy-Research Frontier Research Centers (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES).

Personnel
Argonne National Laboratory
Mark Hereld, Aaron Knoll, Michael E. Papka, Tom Peterka, Robert Ross (PI)

EFRC Partnerships:
Center for Electrical Energy Storage (CEES)
Institute for Atom-­Efficient Chemical Transformations (IACT)

Collaborators
Argonne National Laboratory
Bin Liu, Maria K.Y. Chan, Jeffrey Greeley (CNM) Aslihan Sumer, Julius Jellinek (CSE), Kah Chun Lau, Larry Curtis, Vilas Pol (MSD)

University of Illinois at Chicago
Jason Leigh, Jonas Talandis, Dennis Chau, Brad McGinnis

Funding
Funding for this project is provided by the U.S. Department of Energy Office of Science SciDAC-e program. SciDAC strives to enable scientific discovery through high performance computing software, and SciDAC-e focuses the original SciDAC mission to research and development of solutions to the world’s energy crisis.