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  • PUBLICATION:  Comment: “Additional Insights between Fermi- Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT”, K. A. Jackson, K. P. K. Withanage, and J. E. Peralta, J. Phys. Chem. A 123, 4322 (2019).  link to the article
  • PUBLICATION:  Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms? Biswajit Santra and John. P. Perdew, J. Chem. Phys. 150, 174106 (2019) link to the article
  • PUBLICATION: Stretched or noded orbital densities and self-interaction correction in density functional theory.  Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra R. Zope, and John P. Perdew, J. Chem. Phys. 150, 174102 (2019) link to the article
  • PUBLICATION: Energy Efficient Formaldehyde Synthesis by Direct Hydrogenation of Carbon Monoxide by Direct Hydrogenation of Carbon Monoxide in Functionalized Metal-Organic Frameworks.  Lin Li, Sen Zhang, Jonathan P. Ruffley, and J. Karl Johnson, ACS Sustainable Chem. Eng. 7, 2508 (2019) link to the article
  • 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, J. Comp. Chem. 40, 820 (2019) link to the article
  • 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, J. Phys. Chem. A 122, 9307 (2018) link to the article
  • 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,  J. Chem. Phys. 149, 164101 (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