Listar ICC_Articles por autoría "0dd27edf-a0a8-4faa-891d-d709b736b9b5"

Mostrando ítems 1-3 de 3

    • closedAccess   A fast band–Krylov eigensolver for macromolecular functional motion simulation on multicore architectures and graphics processors 

      Aliaga Estellés, José Ignacio; Alonso-Jordá, Pedro; Badía, José; Chacón, Pablo; Davidovic, Davor; López Blanco, José R.; Quintana-Orti, Enrique S. Elsevier (2016-03-15)
      We introduce a new iterative Krylov subspace-based eigensolver for the simulation of macromolecular motions on desktop multithreaded platforms equipped with multicore processors and, possibly, a graphics accelerator (GPU). ...

    • 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 ...

    • closedAccess   Solving dense generalized eigenproblems on multi-threaded architectures 

      Aliaga Estellés, José Ignacio; Bientinesi, Paolo; Davidovic, Davor; Di Napoli, Edoardo; Igual, Francisco; Quintana-Orti, Enrique S. Elsevier (2012-07)
      We compare two approaches to compute a fraction of the spectrum of dense symmetric definite generalized eigenproblems: one is based on the reduction to tridiagonal form, and the other on the Krylov-subspace iteration. ...