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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

Daniel Sánchez-Portal, of the Centre for Materials Physics (CSIC-UPV/EHU), and Emilio Artacho, Cambridge University professor and Ikerbasque researcher at CICnanoGUNE, both members of the Donostia International Physics Center (DIPC), are co-authors of one of the twelve most important papers in the 50-year history of the Journal of Physics series, according to the publication’s editors. The work selected was published in 2002 and presented a new, efficient atomic simulation code known by its acronym SIESTA; its use is very widespread today.