2 citations · 2 across the 3 of their papers we have counts for
3 papers
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…
Inverse Design of Crystals and Quasicrystals in a Non-Additive Binary Mixture of Hard Disks
Edwin A. Bedolla-Montiel, Jochem T. Lange, Alberto Pérez de Alba Ortíz +1
The development of new materials typically involves a process of trial and error, guided by insights from past experimental and theoretical findings. The inverse design approach fo…
Simultaneous sampling of multiple transition channels using adaptive paths of collective variables
Alberto Pérez de Alba Ortíz, Bernd Ensing
We present a molecular simulation method to simultaneously find multiple transition pathways, and their associated free-energy profiles. The scheme extends path-metadynamics (PMD)…