Develop efficient algorithms for metallic
system in the framework of Density Functional Theory (DFT).
Study the the nuclear quantum effects associated to
non-Boltzmann momentum distribution of quantum particles.
Publications:
SelInv -- An Algorithm for Selected Inversion of a Sparse
Symmetric Matrix (with W. E, J. Lu, J. Meza, C. Yang and L. Ying),
submitted [.pdf]
A Fast Parallel Algorithm for Selected Inversion of Structured
Sparse Matrices with Application to 2D Electronic Structure
Calculations (with W. E, J. Lu, C. Yang and L. Ying), submitted [.pdf]