National Center for Design of
Biomimetic Nanoconductors

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DFT+U method

The DFT+U method is applied to model the electric field driven conformational changes of a manganese (II) porphine molecule adsorbed on a gold electrode surface.

The National Center for Design of Biomimetic Nanoconductors is funded by Grant Number PHS 2 PN2 EY016570B from the National Institutes of Health through the NIH Roadmap for Medical Research and is based at the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign. Partner institutions include Yale University, University of Southern California, University of Chicago, Illinois Institute of Technology, Sandia National Laboratories, Argonne National Laboratory, Oxford University, Wabash College, University of California, Davis, nanoHUB at Purdue University, and the University of New Mexico.