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@ARTICLE{Krieg:857022,
      author       = {Krieg, Stefan and Luu, Thomas and Ostmeyer, Johann and
                      Papaphilippou, Philippos and Urbach, Carsten},
      title        = {{A}ccelerating {H}ybrid {M}onte {C}arlo simulations of the
                      {H}ubbard model on the hexagonal lattice},
      journal      = {Computer physics communications},
      volume       = {236},
      issn         = {0010-4655},
      address      = {Amsterdam},
      publisher    = {North Holland Publ. Co.},
      reportid     = {FZJ-2018-06303},
      pages        = {15-25},
      year         = {2019},
      abstract     = {We present different methods to increase the performance of
                      Hybrid Monte Carlo simulations of the Hubbard model in
                      two-dimensions. Our simulations concentrate on a hexagonal
                      lattice, though can be easily generalized to other lattices.
                      It is found that best results can be achieved using a
                      flexible GMRES solver for matrix inversions and the second
                      order Omelyan integrator with Hasenbusch acceleration on
                      different time scales for molecular dynamics. We demonstrate
                      how an arbitrary number of Hasenbusch mass terms can be
                      included into this geometry and find that the optimal speed
                      depends weakly on the choice of the number of Hasenbusch
                      masses and their values. As such, the tuning of these masses
                      is amenable to automization and we present an algorithm for
                      this tuning that is based on the knowledge of the dependence
                      of solver time and forces on the Hasenbusch masses. We
                      benchmark our algorithms to systems where direct numerical
                      diagonalization is feasible and find excellent agreement. We
                      also simulate systems with hexagonal lattice dimensions up
                      to 102 × 102 and Nt=64 . We find that the Hasenbusch
                      algorithm leads to a speed up of more than an order of
                      magnitude.},
      cin          = {JSC / IAS-4},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)IAS-4-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / DFG project 35592816 - TRR 55: Hadronenphysik
                      mit Gitter-QCD (35592816) / DEEP-EST - DEEP - Extreme Scale
                      Technologies (754304) / DEEP-ER - DEEP Extended Reach
                      (610476) / DEEP - Dynamical Exascale Entry Platform (287530)
                      / PRACE-5IP - PRACE 5th Implementation Phase Project
                      (730913)},
      pid          = {G:(DE-HGF)POF3-511 / G:(GEPRIS)35592816 /
                      G:(EU-Grant)754304 / G:(EU-Grant)610476 / G:(EU-Grant)287530
                      / G:(EU-Grant)730913},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000458227100003},
      doi          = {10.1016/j.cpc.2018.10.008},
      url          = {https://juser.fz-juelich.de/record/857022},
}