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

Alexander G. Kvashnin

Christian Tantardini Miroslav Ilias Matteo Giantomassi Alexander G. Kvashnin Valeria Pershina Xavier Gonze Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo. 109002 2024 295 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2023.109002 db/journals/cphysics/cphysics295.html#TantardiniIGKPG24

Christian Tantardini Hayk A. Zakaryan Zhong-Kang Han Tariq Altalhi Sergey V. Levchenko Alexander G. Kvashnin Boris I. Yakobson Material hardness descriptor derived by symbolic regression. 102402 2024 82 J. Comput. Sci. https://doi.org/10.1016/j.jocs.2024.102402 db/journals/jocs/jocs82.html#TantardiniZHALKY24 streams/journals/jocs

Tariq Altalhi Matteo Giantomassi Xavier Gonze Zhong-Kang Han Miroslav Ilias Sergey V. Levchenko Valeria Pershina Christian Tantardini Boris I. Yakobson Hayk A. Zakaryan