A mesh-free convex approximation scheme for Kohn-Sham density functional theory. - Phanish Suryanarayana; Kaushik Bhattacharya; Michael Ortiz (J. Comput. Phys., 2011)

Augmented Lagrangian formulation of orbital-free density functional theory. - Phanish Suryanarayana; Deepa Phanish (J. Comput. Phys., 2014)

Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators. - Phanisri P. Pratapa; Phanish Suryanarayana; John E. Pask (Comput. Phys. Commun., 2016)

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory. - Swarnava Ghosh; Phanish Suryanarayana (J. Comput. Phys., 2016)

Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems. - Phanisri P. Pratapa; Phanish Suryanarayana; John E. Pask (J. Comput. Phys., 2016)

SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters. - Swarnava Ghosh; Phanish Suryanarayana (Comput. Phys. Commun., 2017)

SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems. - Swarnava Ghosh; Phanish Suryanarayana (Comput. Phys. Commun., 2017)

SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature. - Phanish Suryanarayana; Phanisri P. Pratapa; Abhiraj Sharma; John E. Pask (Comput. Phys. Commun., 2018)

Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems. - Phanish Suryanarayana; Phanisri P. Pratapa; John E. Pask (Comput. Phys. Commun., 2019)

M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations. - Qimen Xu; Abhiraj Sharma; Phanish Suryanarayana (SoftwareX, 2020)

SPARC: Simulation Package for Ab-initio Real-space Calculations. - Qimen Xu; Abhiraj Sharma; Benjamin M. Comer; Hua Huang; Edmond Chow; Andrew J. Medford; John E. Pask; Phanish Suryanarayana (SoftwareX, 2021)

Soft and transferable pseudopotentials from multi-objective optimization. - Mostafa Faghih Shojaei; John E. Pask; Andrew J. Medford; Phanish Suryanarayana (Comput. Phys. Commun., 2023)

Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations. - Boqin Zhang; Xin Jing; Shashikant Kumar; Phanish Suryanarayana (SoftwareX, 2023)

Many-Body Electronic Correlation Energy using Krylov Subspace Linear Solvers. - Shikhar Shah; Boqin Zhang; Hua Huang; John E. Pask; Phanish Suryanarayana; Edmond Chow (SC, 2024)

SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange-correlation functionals. - Boqin Zhang; Xin Jing; Qimen Xu; Shashikant Kumar; Abhiraj Sharma; Lucas Erlandson; Sushree Jagriti Sahoo; Edmond Chow; Andrew J. Medford; John E. Pask; Phanish Suryanarayana (Softw. Impacts, 2024)

Spectral scheme for atomic structure calculations in density functional theory. - Sayan Bhowmik; John E. Pask; Andrew J. Medford; Phanish Suryanarayana (Comput. Phys. Commun., 2025)

SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations. - Tian Tian; Lucas R. Timmerman; Shashikant Kumar; Benjamin M. Comer; Andrew J. Medford; Phanish Suryanarayana (J. Open Source Softw., 2025)