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Group Members

Dr Alessandro Lunghi

Research Fellow



Alessandro obtained his BSc and MSc in chemistry at the University of Florence in 2009 and 2012, respectively. In 2012, he joined the group of Prof. Roberta Sessoli in Florence under the supervision of Dr. Federico Totti. There, he received the Ph.D in chemistry in 2015 with a thesis entitled "Single Molecule Magnets from an ab initio point of view:from single molecules to the adsorption of surfaces”. Alessandro joined the O'Regan group at TCD as a Research Fellow in February 2016.

Current Research

Alessandro currently works on an AMBER project related to data storage technology. His research deals with the description of thermal transport processes and mechanical properties at dielectric/metallic interfaces. As part of this project, Alessandro develops in-house software for the calculation of lattice dynamics of periodic systems, which is integrated with force field based molecular dynamics codes (Lammps).

Alessandro, in collaboration with Prof. Sanvito's group, is also active in a second area of research, which deals with the description of the spin dynamics is single molecule magnets through stochastic ab initio methods. The aims of this project is to understand the processes occurring at atomic length-scales ruling the relaxation in magnetic materials in order to possibly extend their lifetime.

Research Interests

  • Spin Hamiltonian theory and its mapping onto DFT and ab initio calculations.
  • Magnetic properties of Single Molecule Magnets.
  • Single Molecule Magnets adsorbed on metallic interfaces.
  • Steric and Electronic interactions between isolated molecular spins and extended surface states.
  • Spin dynamics processes in Single Molecule Magnets crystals.
  • The theory of open system and spin-phonon interaction modelling.