most citedInverse Design Method with Enhanced Sampling for Complex Open Crystals: Application to Novel Zeolite Self-Assembly in a Coarse-Grained Model

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cond-mat.soft2024

The bcc coating of Lennard-Jones crystal nuclei vanishes with a change of local structure detection algorithm

Willem Gispen, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra

Since the influential work of ten Wolde, Ruiz-Montero, and Frenkel [Phys. Rev. Lett. 75, 2714 (1995)], crystal nucleation from a Lennard-Jones fluid has been regarded as a paradigm…