TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations.

Chih-Chuen Lin Vikram Gavini

Published in: Comput. Phys. Commun. (2023)

Keyphrases

gpu accelerated
discrete fourier transform
frequency domain
fourier transform
real time
high order
tensor decomposition
finite element
three dimensional
dimensionality reduction
tensor factorization
pairwise
source code
computational methods
sequence alignment