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Algorithm for molecular dynamics simulations of spin liquids

I. P. Omelyan·I. M. Mryglod·R. Folk
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Abstract

A new symplectic time-reversible algorithm for numerical integration of the equations of motion in magnetic liquids is proposed. It is tested and applied to molecular dynamics simulations of a Heisenberg spin fluid. We show that the algorithm exactly conserves spin lengths and can be used with much larger time steps than those inherent in standard predictor-corrector schemes. The results obtained for time correlation functions demonstrate the evident dynamic interplay between the liquid and magnetic subsystems.

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I. P. Omelyan, I. M. Mryglod, R. Folk. 2000-12-05. Algorithm for molecular dynamics simulations of spin liquids. https://doi.org/10.1103/physrevlett.86.898

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