• Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo 

      Tantardini, Christian; Iliaš, Miroslav; Giantomassi, Matteo; Kvashnin, Alexander G.; Pershina, Valeria; Gonze, Xavier (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-11-07)
      In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included materials with heavy elements, beyond the stable isotopes of lead, as most actinides exhibit unique properties that make them useful in various applications. Furthermore, new heavy elements beyond actinides, collectively referred ...