You are here

Simone Taioli

ECT* Senior Researcher
  • Department of Physics - Via Sommarive 14 I-38123 Trento (IT) and , Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics - V Holešovičkách 2, 180 00 Praha 8 (CZ)
Scientific activity

My work is aimed at the development of novel theoretical and computational many-body methods and at using stateof-the-art ab-initio techniques mainly in three research areas. Within  the general framework of scattering theory, I investigate the interaction of light and electrons with matter for characterizing electronic and optical properties of materials. Notably, I am the main developer and maintainer of the ab-initio code SURPRISES implementing a method for calculating XPS, Auger and EELS spectra in molecules and solids. Secondly, I deal with first principles and multi-scale simulations of nanostructures (carbon-based, such as graphene, and other materials of technological relevance). In particular, I use mean-field (Hartree-Fock, Density Functional) and beyond mean-field (many-body perturbation theory, GW, TDDFT and Configuration Interaction) approaches, and multi-scale methods (molecular dynamics, Kinetic Monte Carlo) to compute electronic, optical, mechanical and thermodynamic properties of materials including their growth. Finally, I am expanding my research interests toward the application of many-body scattering techniques, typically used in condensed matter and materials science, to the field of strongly correlated materials, such as ultracold Fermi gases at unitarity and superconductors, to the beta-decay of heavy nuclei and to the nucleosynthesis of elements in stars. Starting October 2015, I hold a joint appointment at the Faculty of Mathematics and Physics of Charles University in Prague, where I am lecturing "Scattering methods applied to condensed matter and nuclear research"

ECT* publications
Published in: Microporous and Mesoporous Materials 257C (2018) 222
Published in: 2D Materials, 4 (3) (2017) 031013
Published in: The Journal of Physical Chemistry C, 2016, 120 (38), pp 22045–22053
Published in: Graphene Science Handbook, CRC Press - Chapter 18, 269-285 (2016)
Published in: Journal of Physics: Condensed Matter 28, 13LT01 (2016)
Published in: J. Phys.: Conf. Ser. 665, 012014 (2016)


1st European Conference on Chemistry of Two-Dimensional Materials (Chem2DMat), Strasbourg, 22-26 August 2017
Synthetic methods across the flagship, 05/02-10/02/2017 - Puerto de La Cruz, Tenerife
28th Indian-Summer School on Ab Initio Methods in Nuclear Physics, Aug 29 - Sep 2, 2016, Prague, Czech Republic
Invited plenary talk at the Nanoscience & Nanotechnology 2015 coneference, 28 September - 2 October 2015, Frascati - Rome
Graphene - the Bridge between Low- and High-Energy Physics, September 14 - 18, 2015, in Prague, Czech Republic
Invited lecture at 12th Russbach School on Nuclear Astrophysics, 8-14 March 2015, Rußbach am Paß Gschütt, Austria
Invited keynote lecture at 2014 MRS Spring Meeting - April 21-25, 2014 San Francisco, California