Purnima Ghale

Publication Activity (10 Years)

Years Active: 2017-2018
Publications (10 Years): 2

Top Topics

Synthetic And Real Images

Molecular Dynamics

Top Venues

Comput. Phys. Commun.

SIAM J. Sci. Comput.

Publications

Purnima Ghale, Harley T. Johnson
A sparse matrix-vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms. Comput. Phys. Commun. 227 (2018)
Purnima Ghale, Matthew P. Kroonblawd, Sue Mniszewski, Christian F. A. Negre, Robert Pavel, Sergio Pino, Vivek Sardeshmukh, Guangjie Shi, Georg Hahn
Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning. SIAM J. Sci. Comput. 39 (6) (2017)