​I am keen on applying computational methods such as molecular dynamics (MD) and density functional theory (DFT) to understand molecular behavior at the atomic level. I am interested in modeling and studying the interface of water with hydrophobic media and also in the mechanism involved in charged water droplets from electrospray and in a uniform electric field.

• ​Y. Wang, A. Santana and W. Cai . Atomistic mechanisms of orientation and temperature dependence in gold-catalyzed silicon growth, J. Appl. Phys., 122,085106, 2017.
• Y. Wang, A. Santana and W. Cai. Au-Ge MEAM potential fitted to the binary phase diagram, Model. Simul. Mater. Sci. Eng. 25, 2, 2017.
• A Santana, A Zobelli, J Kota koski, A Chuvilin and E. Bichoustakaia. Inclus​ion of radiation damage dynamics in high-resolution transmission electron microscopy image simulations: The example of graphene, Phys. Rev. B, 87, 094110, 2013.
• G. Algara-Siller, A. Santana, R. Onions, M. Suyetin, J. Biskupek, E. Bichoutskaia and U. Kaiser.Electron-beam engineering of single-walled carbon nanotube from bilayer graphene, Carbon, 65, 80-86, 2013.
• A. Santana, A. Popov and E. Bichoutskaia. Stability and dynamics of vacancy in graphene flakes: Edge effects, Chem. Phys. Lett., 557, 80-87, 2013.

• ​2009-2013: PhD in Computational Chemistry. The University of Nottingham, UK

• ​​2015-2017: Postdoctoral fellow at the Beijing Computational Science Research Center (CSRC) (Beijing, China).

• Water Desalination and Reuse Center (WDRC)​