All Stories

  1. GPU acceleration of hybrid functional calculations in the SPARC electronic structure code

    Article • The Journal of Chemical Physics, May 2025, American Institute of Physics

    Professor Phanish Suryanarayana

  2. Accuracy of Kohn–Sham density functional theory for warm- and hot-dense matter equation of state

    Article • Physics of Plasmas, March 2025, American Institute of Physics

    Professor Phanish Suryanarayana

  3. Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers

    Article • November 2024, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Phanish Suryanarayana

  4. Shock Hugoniot calculations using on-the-fly machine learned force fields with ab initio accuracy

    Article • Physics of Plasmas, October 2024, American Institute of Physics

    Professor Phanish Suryanarayana

  5. Efficient real space formalism for hybrid density functionals

    Article • The Journal of Chemical Physics, August 2024, American Institute of Physics

    Professor Phanish Suryanarayana

  6. On-the-fly machine learned force fields for the study of warm dense matter: Application to diffusion and viscosity of CH

    Article • Physics of Plasmas, April 2024, American Institute of Physics

    Professor Phanish Suryanarayana

  7. Kohn–Sham accuracy from orbital-free density functional theory via Δ-machine learning

    Article • The Journal of Chemical Physics, December 2023, American Institute of Physics

    Professor Phanish Suryanarayana

  8. Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature

    Article • The Journal of Chemical Physics, March 2022, American Institute of Physics

    Professor Phanish Suryanarayana

  9. Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculations

    Article • The Journal of Chemical Physics, July 2020, American Institute of Physics

    Professor Phanish Suryanarayana

  10. On the calculation of the stress tensor in real-space Kohn-Sham density functional theory

    Article • The Journal of Chemical Physics, November 2018, American Institute of Physics

    Professor Phanish Suryanarayana

  11. Ab initio strain engineering of graphene: opening bandgaps up to 1 eV

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Phanish Suryanarayana