My project, funded by The Leverhulme Trust, was aimed at the study of the emergence of order in molecular self-organization.
Many different computational methods can be used to reach this target, and the following sub-projects can give an overview of the broad spectrum of techniques that can be employed for the study of molecular self-organization.
Ongoing and closed sub-projects:
- S. Fortuna, C. A. L. Colard, A. Troisi and S. A. F. Bon, "Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles", Langmuir, 2009, 25 (21), pp 12399–12403, doi: 10.1021/la9010289
- S. Fortuna and A. Troisi - Agent based modelling for the 2D molecular self-organization of realistic molecules - J. Phys. Chem. B, 2010, 114 (31), pp 10151–10159, doi:10.1021/jp103950m
S. Fortuna and A. Troisi, "An artificial intelligence approach for modeling molecular self-assembly: Agent Based simulations of rigid molecules", J. Phys. Chem. B, 2009, 113 (29), pp 9877–9885, doi: 10.1021/jp9030442