Crystal-structure prediction via the floppy-box Monte Carlo algorithm: method and application to hard (non)convex particles.
de Graaf J, Filion L, Marechal M, van Roij R, Dijkstra M.
de Graaf J, et al. Among authors: van roij r.
J Chem Phys. 2012 Dec 7;137(21):214101. doi: 10.1063/1.4767529.
J Chem Phys. 2012.
PMID: 23231211
In this paper, we describe the way to set up the floppy-box Monte Carlo (FBMC) method [L. Filion, M. Marechal, B. van Oorschot, D. Pelt, F. Smallenburg, and M. Dijkstra, Phys. Rev. ...Moreover, we present the results for the dense crystal structures predicted using the FBM …
In this paper, we describe the way to set up the floppy-box Monte Carlo (FBMC) method [L. Filion, M. Marechal, B. van Oorschot, D. Pe …