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Simone Taioli

ECT* Senior Researcher
  • Strada delle Tabarelle, 286 - Trento , I
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.

ECT* publications
Published in: Theoretical Chemistry for Advanced Nanomaterials, pp 135-200 (2020), Springer, Singapore
Published in: Astronomy & Astrophysics 623, A126 (2019)


PANDORA: Measuring beta-decays in plasmas - 30-31/10/2019, Perugia
15th International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2019) - 01-05/05/2019, Rhodos (Greece)
Precise beta decay calculations for searches for new physics - 8-12/04/2019, ECT*
7th Workshop on Nanocarbon Photonics and Optoelectronics (NPO2018), Savolinna, Finland, 6-11 August 2018
14th International Conference of Computational Methods in Sciences and Engineering, Thessaloniki (Greece)14-18/03/2018
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