Articles with "interaction computational" as a keyword



Photo from wikipedia

Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program.

Sign Up to like & get
recommendations!
Published in 2021 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.1c00145

Abstract: We report a new multi-GPU capable ab initio Hartree-Fock/density functional theory implementation integrated into the open source QUantum Interaction Computational Kernel (QUICK) program. Details on the load balancing algorithms for electron repulsion integrals and exchange… read more here.

Keywords: computational kernel; gpu; interaction computational; quantum interaction ... See more keywords