Ph. D. - (2021) Physics, Temple University, Philadelphia, PA, USA
MS - (2015) Physics, Tribhuvan University, Nepal
Employment:

• 2021 - 2022: Postdoctoral Research Associate, Virginia Tech University, VA
• 2023 - Present: Postdoctoral Research Associate, Los Alamos National Laboratory, NM

Research Interests:

• Density Functional Theory, Method, and Applications
• Condensed Matter Physics and Quantum Information Science
• Molecular Dynamic Simulations
• Nuclear Resonance Spectroscopy
• Machine Learning and Deep Learning

Selected Recent Publications:

Here is the link for Google Scholar profile; https://scholar.google.com/citations?hl=en&user=N6FvzloAAAAJ
Wagle, K., Santra, B., Bhattarai, P., Shahi, C., Pederson, M.R., Jackson, K.A. and Perdew, J.P., 2021. Self-interaction correction in water-ion clusters. The Journal of Chemical Physics, 154(9).
Sharkas, K., Wagle, K., Santra, B., Akter, S., Zope, R.R., Baruah, T., Jackson, K.A., Perdew, J.P. and Peralta, J.E., 2020. Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences, 117(21), pp.11283-11288.
Shahi, C., Bhattarai, P., Wagle, K., Santra, B., Schwalbe, S., Hahn, T., Kortus, J., Jackson, K.A., Peralta, J.E., Trepte, K. and Lehtola, S., 2019. Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics, 150(17).