Fabio Negreiros Ribeiro
University of ABC, Brazil
Biography
Fabio Negreiros Ribeiro has his expertise in computational physics applied in condensed matter physics. His main areas of research are Surface Physics, heterogeneous catalysis and reactivity of metal and oxides surfaces in catalysis. He uses in hist study, most of the time, the open source CP2K and QE packages to provide a characterization at the DFT level, but he has also experience with semi-empirical potentials. He has also developed scripts that apply global optimization techniques at the DFT level, calling both CP2K/QE packages.
Abstract
Abstract : Water interaction and dissociation on the (0001) hematite surface: a DFT+U approach