Ceotto Group

Fabio Gabas

PhD Student

Dipartimento di Chimica

Università degli studi di Milano

Contacts

Room 12S Corpo B
via Golgi 19, Milano 20133, ITALY
Tel & Fax : +39 02 503 14255
Email: fabio.gabas@unimi.it



I earned both bachelor and master degrees at Università degli studi di Milano and now I'm tackling my PhD in Michele Ceotto's group.

My research interests are:

  • Molecular dynamics
  • High Performance Computing
  • Quantum and semiclassical molecular dynamics

Curriculum vitae

2015 - present
PhD Student, Dipartimento di Chimica, Università degli Studi di Milano
2014 - 2015
User support, SCSItaly
2012 - 2014
Grant holder, CINECA
2010 - 2012
Master Degree in Chemistry (110/110 e lode), Dipartimento di Chimica, Università degli Studi di Milano
2007 - 2010
Bachelor Degree in Chemistry (110/110 e lode), Dipartimento di Chimica, Università degli Studi di Milano

Schools attended

2014
“Efficient use of Molecular Dynamics simulation applications in an HPC Environment” at CINECA in Bologna
2013
“Summer School on Parallel Computing” at CINECA in Bologna
2013
“Introduction to parallel computing with MPI and OpenMP” at CINECA in Segrate (MI)
2013
“Introduction to scientific and technical computing in C++” at CINECA in Segrate (MI)
2013
“Python for computational science” at CINECA in Segrate (MI)
2013
“Introduction to Scientific Programming using GPGPU and CUDA” at CINECA in Segrate (MI)

Publications

  • Fabio Gabas, Giovanni Di Liberto, Riccardo Conte, and Michele Ceotto, “Protonated Glycine Supramolecular Systems: the need for quantum dynamics” Chem. Sci., 9 7894 (2018). This paper has been selected as “Pick of the Week” by the editorial board of Chemical Science. Furthermore, a representative art image of this paper has been chosen as front cover for an issue of Chemical Science
  • Fabio Gabas, Riccardo Conte, and Michele Ceotto, “On-the-fly ab initio Semiclassical Calculation of Glycine Vibrational Spectrum” J. Chem. Theory Comput., 13(6) 2378-2388 (2017).
  • Chiara Aieta, Fabio Gabas, and Michele Ceotto, “An Efficient Computational Approach for the Calculation of the Vibrational Density of States” J. Phys. Chem. A, 120 4853 (2016).
  • A. Forni, S. Pieraccini, S. Rendine, F. Gabas, and M. Sironi, “Halogen bonding interaction with pi systems: CCSD(T), MP2 and DFT calculations” ChemPhysChem, 13(18) 4224-4234 (2012).