Rejection-free Monte Carlo scheme for anisotropic particles.

  title={Rejection-free Monte Carlo scheme for anisotropic particles.},
  author={Daniel W. Sinkovits and Stephen Austin Barr and Erik Luijten},
  journal={The Journal of chemical physics},
  volume={136 14},
We extend the geometric cluster algorithm [J. Liu and E. Luijten, Phys. Rev. Lett. 92, 035504 (2004)], a highly efficient, rejection-free Monte Carlo scheme for fluids and colloidal suspensions, to the case of anisotropic particles. This is made possible by adopting hyperspherical boundary conditions. A detailed derivation of the algorithm is presented, along with extensive implementation details as well as benchmark results. We describe how the quaternion notation is particularly suitable for… CONTINUE READING


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