Publications: Scientific computing
Years
These papers are ordered by article relevance.
- Efficient Formalism for Large-Scale Ab Initio Molecular Dynamics based on Time-Dependent Density Functional Theory
- J.L. Alonso, X. Andrade, P. Echenique, F. Falceto, D. Prada-Gracia, A. Rubio
Physical Review Letters 101, 96403 - 4 (2008) - Stable Liquid Hydrogen at High Pressure by a Novel Ab Initio Molecular-Dynamics Calculation
- C. Attaccalite, S. Sorella
Physical Review Letters 100, 114501 (2008) - Sharing electronic structure and crystallographic data with ETSF_IO
- D. Caliste, Y. Pouillon, M.J. Verstraete, V. Olevano, X. Gonze
Computer Physics Communications 179, 748 - 758 (2008) - Nuclear cusp condition for the orbital-free effective embedding potential
- J.M García-Lastra, J.W. Kaminski, T.A. Wesolowski
Journal of Chemical Physics 129, 74107 (2008) - Specification of an extensible and portable file format for electronic structure and crystallographic data
- Gonze, X., Almbladh, C.-O., Cucca, A., Caliste, D., Freysoldt, C., Marques, M.A.L., Olevano, V., Pouillon, Y., Verstraete, M.J.
Computational Materials Science 43, 1056 - 1065 (2008) - On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures
- M.J.T. Oliveira, A. Castro, M.A.L. Marques, A. Rubio
Journal Of Nanoscience And Nanotechnology 8, 1 - 7 (2008) - Harnessing the power of modern package management tools for a large Fortran-90-based project: the mutation of ABINIT
- Yann Pouillon, Xavier Gonze
PsiK newsletter, Scientific Highlight of the Month 90, 57 - 67 (2008)