Login / Signup

Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations.

Yoshifumi NishimuraHiromi Nakai
Published in: J. Comput. Chem. (2020)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • scientific data
  • protein folding
  • fluid flow
  • computer vision
  • distributed systems
  • shared memory
  • secondary structure