All-Atom Biomolecular Simulation in the Exascale Era.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c01276
Abstract: Exascale supercomputers have opened the door to dynamic simulations, facilitated by AI/ML techniques, that model biomolecular motions over unprecedented length and time scales. This new capability holds the potential to revolutionize our understanding of fundamental… read more here.
Keywords: atom biomolecular; biomolecular simulation; exascale era; simulation exascale ... See more keywords
Kokkos 3: Programming Model Extensions for the Exascale Era
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Parallel and Distributed Systems"
DOI: 10.1109/tpds.2021.3097283
Abstract: As the push towards exascale hardware has increased the diversity of system architectures, performance portability has become a critical aspect for scientific software. We describe the Kokkos Performance Portable Programming Model that allows developers to… read more here.
Keywords: exascale era; performance; programming model; kokkos programming ... See more keywords