• closedAccess   Out-of-core macromolecular simulations on multithreaded architectures 

      Aliaga Estellés, José Ignacio; Badía, José; Castillo Catalán, María Isabel; Davidovic, Davor; Mayo, Rafael; Quintana-Orti, Enrique S. Wiley (2015)
      We address the solution of large-scale eigenvalue problems that appear in the motion simulation o f com- plex macromolecules on multithreaded platforms, consisting of multicore processors and possibly a graphics processor ...