Computational Nanoscience Endstation (CNE)
May 30, 2013 — DCA++, DMRG++, and QMC are among a suite of codes and simulation capabilities that comprise the computational nanoscience end-station (CNE) developed in collaboration between CNMS and CSMD. In analogy to experimental end-stations at large experimental facilities, the CNE provides users with the leading edge scientific instrumentation (i.e.
May 01, 2013 — This project uses ab-initio many-body electronic structure calculations to unravel outstanding problems in the prediction of materials properties of interest to DOE. In particular, we are developing an understanding of metal oxides that have wide application including energy storage, catalysis, and energy production, and metals that are widely used as structural materials.