7 citations · 7 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2024★ 7 cited
Inverse Design Method with Enhanced Sampling for Complex Open Crystals: Application to Novel Zeolite Self-Assembly in a Coarse-Grained Model
Chaohong Wang, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra
Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for…