Research Lines

We work both in the development of simulation techniques and in their application to different problems.

  • Computational and theoretical condensed matter physics.
  • Complex solids and liquids, using first-principles molecular dynamics based on density-functional theory and on linear-scaling density-functional theory.
  • Nanoscale oxide heterostructures including multiferroics, liquid water, and water/solid interfaces, and non-adiabatic processes related to radiation damage of materials.

Theory news

  • Emilio Artacho APS Fellowship in 2021

    Emilio Artacho, leader of the Theory Group of nanoGUNE, has recently been named APS Fellow by the American Physical Society (APS) for developing the linear scaling SIESTA method and for pioneering work on developing and applying methods to study energy dissipation of swift ions in solids.

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Research team