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Theory

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

NanoGUNE's Theory group, led by Ikerbasque Professor Emilio Artacho, is contributing to the development of a new open-source modular software development paradigm called Electronic Structure Library (ESL), promoted by CECAM (the European Centre for Atomic and Molecular Calculations).