Raffaela Cabriolu

Area of work

My work at NTNU in the group of Titus van Erp is devoted to the applications of rare-events techniques, such as TIS and RETIS, to study Biomineralization processes. The same techniques will be applied to study nucleation events such as the crystallization of different physical systems.    

Skills and expertise

Simulations techniques: Monte Carlo and Molecular dynamics methods

Programming skills: Extended use of C, C++ and Fortran. Knowledge of software packages such as LAMMPS and DL_POLY.  Extended knowledge of Unix and Linux environments. Extended knowledge of Windows environment and its applications. Experience in Latex and the most common editors and programs.

Language skills: first language Italian, fluent in English, intermediate knowledge of French, learning Norwegian.

 

Background

During my Master degree in Belfast at ACS, under the suprevision of Pietro Ballone,  I carried out a study of melting and glass transition in silica using Monte Carlo techniques. Moreover, I investigated structural and thermodynamic properties of clean amorphous silica surfaces.

My phd under the supervision of Stefan Auer and Dimo Kashchiev at the university of Leeds, was focused on the investigation of the nucleation stage in the amyloid formation process using computer simulation methods such as equilibrium Monte Carlo and kinetic MC, as well as theoretical approaches, such as classical and atomistic nucleation theory.

My Post Doc in GWU at Tianshu Li's group was devoted to the modelization of water nucleation ana Silica Nanocrystal.

My Post Doc at LiPhy at the PSM group under the supervision of Kirsten Martens was mainly dedicated at study of creep dynamics of gels and colloidal systems.

Publications

“Foundations and latest advances in replica exchange transition interface sampling” Cabriolu, R., Kjelbred Refnes K. M., Bolhuis P. G., van Erp T.S., The Journal of Physical Chemistry 147 (15), 1527722 (2017).

“Heterogeneous ice nucleation controlled by the coupling of surface crystallinity and surface hydrophilicity” Bi Y., Cabriolu R., Li T., The Journal of Physical Chemistry C 120 (3), 1507-1514 (2016).

“Ice nucleation on carbon surface supports the classical theory for heterogeneous nucleation”  Cabriolu R., Li T. Physical Review E 91 (5), 052402 (2015).

“Communication: Non-monotonic supersaturation dependence of the nucleus size of crystals with anisotropically interacting molecules” Bingham R.J., Rizzi L.G., Cabriolu R. and Auer S., J. Chem. Phys. 139, 241101(2013).

“Confounding the paradigm: peculiarities of amyloid fibril nucleation” Kashchiev D., Cabriolu R., and Auer S., J. Am. Chem. Soc. 135, 1531 (2013).

“Breakdown of nucleation theory for crystals with strongly anisotropic interactions between molecule”. Cabriolu R., Kashchiev D., and Auer S. ,J. Chem. Phys. 137, 204903 (2012).

“Size Distribution of Amyloid Nanofibrils”. Cabriolu R., Kashchiev D., and Auer S., Biophys. Journal 101 , 2232, (2011).

“Amyloid Fibrillation Kinetics: Insight from Atomistic Nucleation Theory”. Cabriolu R., and Auer S., J. Mol. Biol. 411, 275, (2011).

“Atomistic theory of amyloid fibril nucleation”. Cabriolu R., Kashchiev D., and Auer S., J. Chem. Phys. 133 , 225101 (2010).

“Thermodynamic properties and atomistic structure of the dry amorphous silica surface from a reactive force field model”. Cabriolu R., and Ballone, P., Phys. Rev. B 81 ,1155432 (2010).

“Melting of a tetrahedral network model of silica”. Cabriolu R., Del Popolo M., and Ballone P., PCCP 11, 10820 (2009).