• Benchmarking the Fermi-Löwdin orbital self-interaction correction method: The SIE4x4 and SIE11 Test Sets. 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 to J. Chem. Theory Comput. (Aug. 2018)
  • 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 to J. Comput. Chem. (Aug. 2018).
  • 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, submitted to J. Chem. Phys. (July 2018)
  • Jingyun Ye, Lin Li, and J. Karl Johnson, The Effect of Topology in Lewis Pair Functionalized Metal Organic Frameworks on CO2 Adsorption and Hydrogenation, Catalysis Science & Technology, submitted (2018).
  • 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)
  • 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)