Using the k-d Tree Data Structure to Accelerate Monte Carlo Simulations.
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DOI: 10.1021/acs.jctc.6b01222
Abstract: The k-d tree data structure is implemented in a Monte Carlo (MC) molecular simulation program to accelerate the range search for particles or interaction sites within the cutoff distance when Lennard-Jones and Coulomb interactions are… read more here.
Keywords: tree data; npt ensemble; data structure; monte carlo ... See more keywords