Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems (Q477104)

The authors develop an efficient Barnes-Hut treecode algorithm for electrostatic evaluation in Monte Carlo simulations of Coulomb many-body systems. The proposed algorithm is based on a divide and conquer strategy and fast update of the octree data structure in each trial move through a local adjustment procedure. The accuracy of the tree algorithm is tested, and it is used to perform computer simulations of electric double layer near a spherical interface. The authors are able to show the computational cost of the Monte Carlo method with treecode acceleration scales as \(\log N \) in every move.