Parents
Sign in to add mentor| Andréas Savin | grad student | 2009-2013 | Université Pierre et Marie Curie (Paris) |
| Julien Toulouse | grad student | 2009-2013 | Université Pierre et Marie Curie |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Withanage KPK, Sharkas K, Johnson JK, et al. (2022) Fermi-Löwdin orbital self-interaction correction of adsorption energies on transition metal ions. The Journal of Chemical Physics. 156: 134102 |
| Akter S, Vargas JA, Sharkas K, et al. (2021) How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? Physical Chemistry Chemical Physics : Pccp. 23: 18678-18685 |
| Johnson AI, Withanage KPK, Sharkas K, et al. (2019) The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. The Journal of Chemical Physics. 151: 174106 |
| Jackson KA, Peralta JE, Joshi RP, et al. (2019) Towards efficient density functional theory calculations without self-interaction: The Fermi-Löwdin orbital self-interaction correction Journal of Physics: Conference Series. 1290: 012002 |
| Sharkas K, Li L, Trepte K, et al. (2018) Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximation. The Journal of Physical Chemistry. A |
| Joshi RP, Trepte K, Withanage KPK, et al. (2018) Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings. The Journal of Chemical Physics. 149: 164101 |
| Sand AM, Hoyer CE, Sharkas K, et al. (2017) Analytic Gradients for Complete Active Space Pair-Density Functional Theory. Journal of Chemical Theory and Computation |
| Sharkas K, Gagliardi L, Truhlar DG. (2017) Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe. The Journal of Physical Chemistry. A |
| Sansone G, Civalleri B, Usvyat D, et al. (2015) Range-separated double-hybrid density-functional theory applied to periodic systems. The Journal of Chemical Physics. 143: 102811 |
| Sansone G, Civalleri B, Usvyat D, et al. (2015) Range-separated double-hybrid density-functional theory applied to periodic systems Journal of Chemical Physics. 143 |