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  • Modeling the Reactivity of Open Metal Sites in Metal Organic Frameworks for Olefin Paraffin Separation. Lin Li, Mona Mohamed, Yahui Yang, Sen Zhang, Kushantha Withanage, Juan Peralta, Koblar A. Jackson, Götz Veser, Nathaniel Rosi, and J. Karl Johnson, American Institue of Chemical Engineering Meeting, Orlando, Florida, Nov. 10 – 14, 2019.
  • The FLO-SIC route to self-interaction free DFT, Juan E. Peralta, Current Topics in Theoretical and Computational Chemistry, Quito, Ecuador, July 1-5, 2019.
  • Towards practical self-interaction free DFT: The FLO-SIC Approach, Juan E. Peralta, 18th International Conference on Density-Functional Theory and its Applications, Alicante, Spain, July 22-26, 2019.
  • Self-interaction effects in molecular dissociation curves. K. A. Jackson, A. Johnson, J. E. Peralta, and K. Sharkas, APS March Meeting, Boston, MA, March 3-8, 2019.
  • Self-interaction-corrected polarizabilities of free atoms and their ions. K. P. K. Withanage, S. Akter, C. Shahi, T. Baruah, R. Zope. J. P. Perdew, J. E. Peralta, and K. A. Jackson, APS March Meeting, Boston, MA, March 3-8, 2019.
  • Improving the prediction of magnetic interactions from DFT methods: Non-collinear magnetism and self-interaction, J. E. Peralta, R. P. Joshi, K. Trepte, and K. A. Jackson, APS March Meeting, Boston, MA, March 3-8, 2019.
  • Self-interaction error free magnetic exchange couplings: LSDA vs PBE vs SCAN, R. P. Joshi, K. A. Jackson, and J. E. Peralta, APS March Meeting, Boston, MA, March 3-8, 2019.
  • Is self-interaction corrected density functional theory straying from the path toward the exact functional? S. Schwalbe, T. Hahn, J. Kortus, K. Trepte, and K. A. Jackson, APS March Meeting, Boston, MA, March 3-8, 2019.
  • Benchmarking progress toward self-interaction-free density functional theory with the FLO-SIC method , Koblar Jackson, seminar for the Chemical Theory Center, University of Minnesota, Oct. 2018.
  • Improved spin-ground states and molecular magnetism in FLO-SIC. K. Trepte, S. Schwalbe, J. Kortus, R. P. Joshi, and K. A. Jackson, 9th Joint European Magnetic Symposia (JEMS) Conference 2018, Mainz, Germany, Sept. 3 – 8, 2018.
  • Analytical atomic gradients in Fermi-Lowdin orbital self-interaction correction. Kai Trepte, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Kushantha P. K. Withanage, Juan E. Peralta, and Koblar A. Jackson, Midwest Theoretical Chemistry Conference, Chicago, IL June 23, 2018.
  • Comparison between FLOSIC and traditional SIC. Kushantha P. K. Withanage, Kai Trepte, Koblar A. Jackson, and Juan E. Peralta, Midwest Theoretical Chemistry Conference, Chicago, IL June 23, 2018.
  • Juan E. Peralta, Rajendra P. Joshi, Kai Trepte and Koblar A. Jackson, Magnetic Exchange Couplings from Density Functional Theory without Self-Interaction, 8th North America-Greece-Cyprus Workshop on Paramagnetic Materials, Mystras, Greece, June 2018.
  • Torsten Hahn, Sebastian Schwalbe, Kai Trepte, Koblar Jackson, and Jens Kortus, Towards chemical accuracy: Fermi-Löwdin orbital self-interaction corrected density functional theory, APS March Meeting, Los Angeles, CA, March 2018
  • Rajendra Joshi, Kushantha Withanage, Kai Trepte, Koblar A. Jackson, and Juan E. Peralta, Magnetic Exchange Couplings from Fermi-Löwdin Orbital Self-interaction Corrected Calculations, APS March Meeting, Los Angeles, CA, March 2018
  • Kushantha Withanage, Kai Trepte, Juan E. Peralta, and Koblar A. Jackson, On the question of the total energy in FLO-SIC calculations, APS March Meeting, Los Angeles, CA, March 2018
  • Kai Trepte, Kushantha Withanage, Der-You Kao, Juan E. Peralta, and Koblar A. Jackson, FLO-SIC atomic orbital energies, APS March Meeting, Los Angeles, CA, March 2018
  • Koblar Jackson, Kai Trepte, Kushantha Withanage, Der-You Kao, and Juan E. Peralta, Atomic forces in Fermi-Löwdin Local Orbital Self-interaction Correction Calculations, APS March Meeting, Los Angeles, CA, March 2018
  • Koblar Jackson, FLOSIC: Efficient density functional calculations without self-interaction, NSF Materials Genome Initiative PI Meeting, College Park Maryland, March 2018.
  • Koblar Jackson, FLOSIC: Efficient density functional calculations without self-interaction, Dept. of Energy CTC PI meeting, Gaithersburg, Maryland, May 2018
  • Tunna Baruah, Sharmin Akter, Yoh Yamamoto, Rajendra Zope, Carlos Diaz, Molecular properties with DFT and beyond, Dept. of Energy CTC PI meeting, Gaithersburg, Maryland, May 2018
  • Koblar Jackson, FLOSIC: Efficient density functional calculations without self-interaction, XXX IUPAP Conference on Computational Physics, CCP2018, Davis, CA, Aug. 2018.
  • J. Karl Johnson, Lin Li, Jingyun Ye, Nguyen Vo, Abhishek Bahusetty, Daniel Lambrecht, Computational Catalysis in Complex Environments, ACS Fall National Meeting, Washington DC, August 2017
  • L. Li, J. Ye, and J. K. Johnson, The Effect of Topology of Lewis Pair Functionalized Metal Organic Framework on CO2 adsorption and Hydrogenation, 2017 International Pittsburgh Coal Conference (PCC), September 8, 2017, Pittsburgh, PA.
  • L. Li, J. Ye, and J.K. Johnson, Catalytic Hydrogenation of Carbon Dioxide in Functionalized Metal Organic Frameworks, 2017 AIChE Annual Meeting, November 2, 2017, Minneapolis, MN. 
  • L. Li, M. Mahmoud, Y. Yang, S. Zhang, G. Veser, N. Rosi, and J. K. Johnson, Modeling the Reactivity of Open Metal Sites in MFU-4l: Search for Self-interaction Free DFT Calculations, 2018 Pittsburgh-Cleveland Catalysis Annual Meeting, June 8, 2018, Pittsburgh, PA. 
  • Sen Zheng, Lin Li, Jonathan Ruffley, J. Karl Johnson, Catalytic Hydrogenation of Carbon Monoxide to Formaldehyde in Functionalized Metal Organic Frameworks: An Investigation of Pathway and Uncertainty, 2018 Pittsburgh-Cleveland Catalysis Annual Meeting, Pittsburgh PA, 8 June 2018
  • Lin Li, Sen Zheng, Karl Johnson, Catalytic Hydrogenation of Carbon Monoxide to Formaldehyde in Functionalized Metal Organic Frameworks: An Investigation of Pathway and Uncertainty, Foundations of Molecular Modeling (FOMMS), Delavan, WI, July 2018 .