Development of the Octopus electronic-structure code

I am one of the main developers of Octopus, an open source package for electronic-structure simulations used by many research groups. I have implemented several components and coordinated the development effort.

Publications

  • X. Andrade, J. Alberdi-Rodriguez, D. A. Strubbe, M. J. T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S. G. Louie, A. Aspuru-Guzik, A. Rubio, and M. A. L. Marques, Time-dependent density-functional theory in massively parallel computer architectures: the octopus project, Journal of Physics: Condensed Matter, 24 233202 (2012).
  • A, Castro, H. Appel, M. Oliveira, C. A. Rozzi, X. Andrade, F. Lorenzen, M. A. L. Marques, E. K. U. Gross, A. Rubio, octopus: a tool for the application of time-dependent density functional theory, Physica Status Solidi (b), 243 2465-2488 (2006).