High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00768
Abstract: We present a high-performance, GPU (graphics processing unit)-accelerated algorithm for building the Fock matrix. The algorithm is designed for efficient calculations on large molecular systems and uses a novel dynamic load balancing scheme that maximizes… read more here.
Keywords: graphics processing; performance; processing unit; high performance ... See more keywords