Related links:

• I have been involved in developing the PARSEC package . The most recent algorithm which significantly speeds up the expensive diagonalization in DFT calculations is documented in this paper. Note that this paper only discussed the sequential cases. The parallel code is finished recently (Thanks to Jim for sending Murilo from UT Austin to help me finalize the parallelization. We did the job in three days Oct. 16--18, working 12+ hrs per day). A recent public release of the PARSEC package is here . Note that our most recent (and most efficient) solvers together with recent publications have not been put on this page yet. We will make public release of the new solvers at a suitable time.
• Some of my matlab codes
• Sparsity structures of some Hamiltonian matrices I created
• A history of quantum mechanics
• Virtual laboratory for earth and planetary materials
• Scalable methods for electronic excitations and optical responses.
• High performance algorithms for electronic materials.
  Here are some former publications of the group at UMN.
• Some journals
• TCM, Cavendish Lab -- DFT
• Resources for Electronic Structures
• Some popular plane wave DFT packages: PWscf,   PARATEC,   Abinit,   VASP

My Research Interests:

• Numerical Linear Algebra:
  Eigenvalue problems, linear systems, matrix equations (especially in the large scale setting).
• Scientific computing and software development
• Interdisciplinary researches:
  Especially modeling and novel algorithmic development.
• Reduced basis methods for model reduction of large-scale dynamical systems.
• Optimization. Data mining.
• Preconditioning and regularization methods for ill-conditioned problems:
  Especially ill-conditioning related to large scale problems from eigenvalue problems, linear systems, matrix equations, and optimization.

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