Parallel Solution of Eigenvalue Problems in Electronic Structure Calculations. - Andreas Stathopoulos; Yousef Saad; James R. Chelikowsky (PP, 1997)

Parallel Solution of Equations for the Electronic Structure of Matter. - Yousef Saad; James R. Chelikowsky; Thierry Braconnier; Serdar Öugöt (PP, 1999)

Parallel methods and tools for predicting material properties. - Andreas Stathopoulos; Serdar Ögüt; Yousef Saad; James R. Chelikowsky; Hanchul Kim (Comput. Sci. Eng., 2000)

Nanoscience, nanotechnology, and modeling. - James R. Chelikowsky; Mark A. Ratner (Comput. Sci. Eng., 2001)

Computing charge densities with partially reorthogonalized Lanczos. - Constantine Bekas; Yousef Saad; Murilo L. Tiago; James R. Chelikowsky (Comput. Phys. Commun., 2005)

Efficient computation of the coupling matrix in time-dependent density functional theory. - Emmanuel Lorin de la Grandmaison; Shivaraju Gowda; Yousef Saad; Murilo L. Tiago; James R. Chelikowsky (Comput. Phys. Commun., 2005)

Self-consistent-field calculations using Chebyshev-filtered subspace iteration. - Yunkai Zhou; Yousef Saad; Murilo L. Tiago; James R. Chelikowsky (J. Comput. Phys., 2006)

Efficient first-principles calculations of the electronic structure of periodic systems. - M. M. G. Alemany; Manish Jain; Murilo L. Tiago; Yunkai Zhou; Yousef Saad; James R. Chelikowsky (Comput. Phys. Commun., 2007)

Algorithms for the evolution of electronic properties in nanocrystals. - James R. Chelikowsky; Murilo L. Tiago; Yousef Saad; Yunkai Zhou (Comput. Phys. Commun., 2007)

Numerical Methods for Electronic Structure Calculations of Materials. - Yousef Saad; James R. Chelikowsky; Suzanne M. Shontz (SIAM Rev., 2010)

Quantum algorithms for predicting the properties of complex materials. - Grady Schofield; Yousef Saad; James R. Chelikowsky (XSEDE, 2012)

A spectrum slicing method for the Kohn-Sham problem. - Grady Schofield; James R. Chelikowsky; Yousef Saad (Comput. Phys. Commun., 2012)

An effective capacitance model for computing the electronic properties of charged defects in crystals. - Tzu-Liang Chan; Alex J. Lee; James R. Chelikowsky (Comput. Phys. Commun., 2014)

Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation. - Yunkai Zhou; James R. Chelikowsky; Yousef Saad (J. Comput. Phys., 2014)

Discontinuous Galerkin Deterministic Solvers for a Boltzmann-Poisson Model of Hot Electron Transport by Averaged Empirical Pseudopotential Band Structures. - José A. Morales Escalante; Irene M. Gamba; Yingda Cheng; Armando Majorana; Chi-Wang Shu; James R. Chelikowsky (CoRR, 2015)

Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC. - Kai-Hsin Liou; Chao Yang 001; James R. Chelikowsky (Comput. Phys. Commun., 2020)