63 citations · 236 across the 11 of their papers we have counts for
11 papers
A mixed precision LOBPCG algorithm
Daniel Kressner, Yuxin Ma, Meiyue Shao
The locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm is a popular approach for computing a few smallest eigenvalues and the corresponding eigenvectors of…
A mixed precision Jacobi SVD algorithm
Weiguo Gao, Yuxin Ma, Meiyue Shao
We propose a mixed precision Jacobi algorithm for computing the singular value decomposition (SVD) of a dense matrix. After appropriate preconditioning, the proposed algorithm comp…
Householder orthogonalization with a non-standard inner product
Meiyue Shao
Householder orthogonalization plays an important role in numerical linear algebra. It attains perfect orthogonality regardless of the conditioning of the input. However, in the con…
Ab Initio No Core Shell Model with Leadership-Class Supercomputers
James P. Vary, Robert Basili, Weijie Du +9
Nuclear structure and reaction theory is undergoing a major renaissance with advances in many-body methods, strong interactions with greatly improved links to Quantum Chromodynamic…
Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting
Wei Hu, Meiyue Shao, Andrea Cepellotti +5
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excita…
A robust and efficient implementation of LOBPCG
Jed A. Duersch, Meiyue Shao, Chao Yang +1
Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) is widely used to compute eigenvalues of large sparse symmetric matrices. The algorithm can suffer from numerical i…
BSEPACK User's Guide
Meiyue Shao, Chao Yang
This is the user manual for the software package BSEPACK (Bethe--Salpeter Eigenvalue Solver Package).
A structure preserving Lanczos algorithm for computing the optical absorption spectrum
Meiyue Shao, Felipe H. da Jornada, Lin Lin +3
We present a new structure preserving Lanczos algorithm for approximating the optical absorption spectrum in the context of solving full Bethe--Salpeter equation without Tamm--Danc…
Accelerating Nuclear Configuration Interaction Calculations through a Preconditioned Block Iterative Eigensolver
Meiyue Shao, Hasan Metin Aktulga, Chao Yang +3
We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel compu…
Low Rank Approximation in Approximation
Meiyue Shao, Lin Lin, Chao Yang +4
The single particle energies obtained in a Kohn--Sham density functional theory (DFT) calculation are generally known to be poor approximations to electron excitation energies that…
Structure Preserving Parallel Algorithms for Solving the Bethe-Salpeter Eigenvalue Problem
Meiyue Shao, Felipe H. da Jornada, Chao Yang +2
The Bethe-Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe-Salpeter equation in the context of computing exciton energies and sta…