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@ARTICLE{Mller:863282,
      author       = {Müller, Gideon and Hoffmann, Markus and Dißelkamp,
                      Constantin and Schürhoff, Daniel and Mavros, Stefanos and
                      Sallermann, Moritz and Kiselev, Nikolai S. and Jónsson,
                      Hannes and Blügel, Stefan},
      title        = {{S}pirit: {M}ultifunctional framework for atomistic spin
                      simulations},
      journal      = {Physical review / B},
      volume       = {99},
      number       = {22},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-03372},
      pages        = {224414},
      year         = {2019},
      abstract     = {The Spirit framework is designed for atomic-scale spin
                      simulations of magnetic systems with arbitrary geometry and
                      magnetic structure, providing a graphical user interface
                      with powerful visualizations and an easy-to-use scripting
                      interface. An extended Heisenberg-type spin-lattice
                      Hamiltonian including competing exchange interactions
                      between neighbors at arbitrary distances, higher-order
                      exchange, Dzyaloshinskii-Moriya and dipole-dipole
                      interactions is used to describe the energetics of a system
                      of classical spins localized at atom positions. A variety of
                      common simulation methods are implemented including Monte
                      Carlo and various time evolution algorithms based on the
                      Landau-Lifshitz-Gilbert (LLG) equation of motion. These
                      methods can be used to determine static ground-state and
                      metastable spin configurations, sample equilibrium and
                      finite-temperature thermodynamical properties of magnetic
                      materials and nanostructures, or calculate dynamical
                      trajectories including spin torques induced by stochastic
                      temperature or electric current. Methods for finding the
                      mechanism and rate of thermally assisted transitions include
                      the geodesic nudged elastic band method, which can be
                      applied when both initial and final states are specified,
                      and the minimum mode-following method when only the initial
                      state is given. The lifetimes of magnetic states and rates
                      of transitions can be evaluated within the harmonic
                      approximation of transition-state theory. The framework
                      offers performant central processing unit (CPU) and graphics
                      processing unit (GPU) parallelizations. All methods are
                      verified and applications to several systems, such as
                      vortices, domain walls, skyrmions, and bobbers are
                      described.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000470829400010},
      doi          = {10.1103/PhysRevB.99.224414},
      url          = {https://juser.fz-juelich.de/record/863282},
}