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  • PUBLICATION and COVER: The Effect of Topology in Lewis Pair Functionalized Metal Organic Frameworks on CO2 Adsorption and Hydrogenation, Jingyun Ye, Lin Li, and J. Karl Johnson, Catalysis Science & Technology, 8, 4609 (2018) link to the article - link to the news release
  • PUBLICATION: Shrinking self-interaction errors with the Fermi-Löwdin orbital self-interaction corrected density functional approximation, K. Sharkas, L. Li, K. Trepte, K. P. K. Withanage, R. P. Joshi, R. R. Zope, T. Baruah, J. K. Johnson, K. A. Jackson, and J. E. Peralta, submitted (Oct. 2018)
  • PUBLICATION: Analytic Atomic Gradients in the Fermi- Löwdin obital self-interaction correction. K. Trepte, S. Schwalbe, T. Hahn, J. Kortus, D-y. Kao, Y. Yamamoto, T. Baruah, R. R. Zope, K. P. K. Withanage, J. E. Peralta, and K. A. Jackson, submitted (Aug. 2018)
  • PUBLICATION: Fermi- Löwdin orbital self-interaction correction to magnetic exchange couplings. R. P. Joshi, K. Trepte, K. P. K. Withanage, K. Sharkas, Y. Yamamoto, L. Basurto, R. R. Zope, T. Baruah, K. A. Jackson, and J. E. Peralta, accepted in J. Chem. Phys. (Sept. 2018) link to the article
  • PUBLICATION: On the question of the total energy in the Fermi- Löwdin orbital self-interaction correction method. Kushantha P. K. Withanage, Kai Trepte, Juan E. Peralta, Tunna Baruah, Rajendra Zope, and Koblar A. Jackson, J. Chem. Theory Comput. 14, 4122 (2018) link to the article
  • PUBLICATION: D-y. Kao, K. Withanage, T. Hahn, J. Batool, J. Kortus, and K. Jackson, Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li – Kr., J. Chem. Phys. 147, 164107 (2017) link to the article