**C. Yang and J.C. Meza,** *Linear Algebra and its Applications* 436 (8), 2764-2779 (2012).

# Research: Publications

# Tuning an Electronic Structure Code→

/**D.H. Bailey, L.W. Wang, Z. Zhao, J. Meza, E. Strohmaier, and B. Lee**, in *Performance Tuning of Scientific Applications*, D.H. Bailey, R. Lucas, and S. Williams (Eds.) (2010).

# Solving a Class of Nonlinear Eigenvalue Problems by Newton's Method (PDF)→

/**W. Gao, C. Yang, and J.C. Meza**, Lawrence Berkeley National Laboratory Technical Report, LBNL-2187E (2009).

# KSSOLV - a MATLAB Toolbox for Solving the Kohn-Sham Equations (PDF)→

/**C. Yang, J.C. Meza, B. Lee, and L.-W. Wang**, *ACM Transactions on Mathematical Software*, Vol. 36, 1-35 (2009).

# Linear-Scaling Three-Dimensional Fragment Methods for Large-Scale Electronic Structure Calculations (PDF)→

/**L.W. Wang, Z. Zhao, and J.C. Meza**, *Physical Review B*. 77, 165113 (April 2008), Proceedings of SC08 (November 2008), LBNL-959E. ** Recipient of the 2008 ACM Gordon Bell Prize in the "Special" category for "algorithmic innovation"*

# A Divide-and-Conquer Linear Scaling Three-Dimensional Fragment Method for Large Scale Electronic Structure Calculations (PDF)→

/**Z. Zhao, J. Meza, and L.W. Wang**, *Journal of Physics: Condensed Matter* 20 294203 (8pp), No. 29 (2008). doi:10.1088/0953-8984/20/29/294203.

# A Trust Region Direct Constrained Minimization Algorithm for the Kohn-Sham Equation (PDF)→

/**C. Yang, J.C. Meza, and L.-W. Wang,** *SIAM Journal on Scientific Computing*, 29, No. 5, 1854-1875 (2007). doi: 10.1137/060661442.

# A New Linear Scaling Electronic Structure Calculation Method for Nanoscience Simulations (PDF)→

/**L.W. Wang, Z. Zhao, and J.C. Meza**, submitted to *Physical Review Letters*, LBNL-63252 (2007).

# On the Convergence of the Self-Consistent Field Iteration for a Class of Nonlinear Eigenvalue Problems→

/**C. Yang, W. Gao, and J. Meza**, *LBNL-63037* (2007).

# Linear Scaling 3D Fragment Method for Large-Scale Electronic Structure Calculations (PDF)→

/**L.W. Wang, Z. Zhao, and J.C. Meza**, *LBNL-61691* (October 2006).

# A Constrained Optimization Algorithm for Total Energy Minimization in Electronic Structure Calculation→

/**C. Yang, J.C. Meza, and L.-W. Wang**, *Journal of Computational Physics*, 217, 709-721 (2006).

# Petascale Calculations of the Electronic Structures of Nanostructures with Hundreds of Thousands of Processors→

/**L.W. Wang, Z. Zhao, and J.C. Meza**, *LBNL-63793* (2006).