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cond-mat.soft2024★ 2 cited
Recursive Algorithm to the Centroid of Free Area for Inherent Structure and Hopping Motion in Deeply Supercooled Binary Hard Disk Systems
Daigo Mugita, Kazuyoshi Souno, Masaharu Isobe
Inherent structures, derived by eliminating thermal fluctuations from complex trajectories, illuminate fundamental mechanisms underlying structural relaxation and dynamic heterogen…
cond-mat.soft2024★ 2 cited
Microscopic Mechanisms of Diffusion Dynamics: A Comparative Efficiency Study of Event-Chain Monte Carlo Variants in Dense Hard Disk Systems
Daigo Mugita, Masaharu Isobe
In molecular simulations, efficient methods for investigating equilibration and slow relaxation in dense systems are crucial yet challenging. This study focuses on the diffusional…