All Stories

  1. Silver (I) as DNA glue: Ag+-mediated guanine pairing revealed by removing Watson-Crick constraints

    Article • Scientific Reports, May 2015, Springer Science + Business Media

    Dr Olga Lopez-Acevedo

  2. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    Article • Journal of Applied Physics, January 2015, American Institute of Physics

    Dr Olga Lopez-Acevedo

  3. Optimizing a parametrized Thomas–Fermi–Dirac–Weizsäcker density functional for atoms

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Olga Lopez-Acevedo

  4. On the interaction between gold and silver metal atoms and DNA/RNA nucleobases – a comprehensive computational study of ground state properties

    Article • Nanotechnology Reviews, January 2015, De Gruyter

    Dr Olga Lopez-Acevedo

  5. Orbital-free density functional theory implementation with the projector augmented-wave method

    Article • The Journal of Chemical Physics, December 2014, American Institute of Physics

    Dr Olga Lopez-Acevedo

  6. Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies

    Article • Carbon, October 2014, Elsevier

    Dr Olga Lopez-Acevedo

  7. A Multiscale Code for Flexible Hybrid Simulations Using ASE Framework

    Article • Computing in Science & Engineering, March 2014, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Olga Lopez-Acevedo