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Simulation of nucleation in almost hard-sphere colloids: the discrepancy between experiment and simulation persists.
Filion L, Ni R, Frenkel D, Dijkstra M. Filion L, et al. J Chem Phys. 2011 Apr 7;134(13):134901. doi: 10.1063/1.3572059. J Chem Phys. 2011. PMID: 21476768
When we map the WCA model onto a hard-sphere system, we find good agreement between the present simulation results and those that had been obtained for hard spheres [L. Filion, M. Hermes, R. Ni, and M. Dijkstra, J. Chem. Phys. 133, 244115 (2010); S. ...
When we map the WCA model onto a hard-sphere system, we find good agreement between the present simulation results and those that had been o …
Vacancy-stabilized crystalline order in hard cubes.
Smallenburg F, Filion L, Marechal M, Dijkstra M. Smallenburg F, et al. Among authors: filion l. Proc Natl Acad Sci U S A. 2012 Oct 30;109(44):17886-90. doi: 10.1073/pnas.1211784109. Epub 2012 Sep 10. Proc Natl Acad Sci U S A. 2012. PMID: 23012241 Free PMC article.
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: filion l. 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. ...
In this paper, we describe the way to set up the floppy-box Monte Carlo (FBMC) method [L. Filion, M. Marechal, B. van Oorschot …
Liquid-Liquid Phase Transitions in Tetrahedrally Coordinated Fluids via Wertheim Theory.
Smallenburg F, Filion L, Sciortino F. Smallenburg F, et al. Among authors: filion l. J Phys Chem B. 2015 Jul 23;119(29):9076-83. doi: 10.1021/jp508788m. Epub 2014 Nov 10. J Phys Chem B. 2015. PMID: 25384011
Physically, these requirements can be seen as controlling the softness of the particle-particle interaction and the bond flexibility, in full agreement with recent findings [Smallenburg, F.; Filion, L.; Sciortino, F. Nat. Phys. 2014, 10, 653]....
Physically, these requirements can be seen as controlling the softness of the particle-particle interaction and the bond flexibility, in ful …
112 results