Publikationen in Zusammenarbeit mit Forschern von Instituto de Ciencia de Materiales de Barcelona (3)

2020

  1. Siesta: Recent developments and applications

    The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108

  2. The CECAM electronic structure library and the modular software development paradigm

    The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117

2018

  1. The PSML format and library for norm-conserving pseudopotential data curation and interoperability

    Computer Physics Communications, Vol. 227, pp. 51-71