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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

Jon Zubeltzu, Pre-doctoral Researcher at the Theory Group at CIC nanoGUNE, received his PhD at the University of the Basque Country (UPV/EHU) after the defense of his thesis project on 5 June 2017. His research work, entitled “Theoretical Simulations of Nanoconfined Water", has been developed under the supervision of Prof. Emilio Artacho, Theory group leader.