Edoardo Fertitta

Edoardo Fertitta is a research scientist at SINTEF in the field of material modelling.
His academic background is in quantum chemistry, solid states physics and methods development to surpass the limits of DFT in describing strong correlation.
He also worked in industry on battery modelling and gained experience in multi-scale simulations.
His current work focuses on simulations of energy materials with a special interest in batteries and on new tools for highly-accurate predictions.

Education

- 2017-2019: Postdoc in Quantum Embedding, King's College London (supervisor George Booth)
- 2012-2016: PhD Theoretical Chemistry, Freie Universität Berlin (supervisor Beate Paulus)
- 2009-2011: M.S. Chemistry, Freie Universität Berlin

Competence and research areas

- Post-Hartree-Fock methods
- Local wave-function methods
- Quantum embedding
- Full Configuration Interaction Quantum Monte Carlo (FCIQMC)
- Density functional theory
- Strong electronic correlation in solids
- High-throughput (random) structure samplings
- Modelling of surface chemistry
- Multiscale modelling
- Battery materials
- Transition Metal Oxides
- Ferroelectrics
- Semiconductors
- Metals and alloys

Selected publications:

C Lupo, E Sheridan, E Fertitta, D Dubbink, CJ Pickard, C Weber, From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces, npj Computational Materials 7 (1), 1-6 (2021)

E Fertitta, S Das, D Banerjee, F Ebrahimi, C Barraud, K Du, H Tian, ... Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction, npj Computational Materials 7 (1), 1-8 (2021)

E Fertitta, GH Booth, Energy-weighted density matrix embedding of open correlated chemical fragments, The Journal of chemical physics 151 (1), 014115 (2019)

E Fertitta, GH Booth, Rigorous wave function embedding with dynamical fluctuations, Physical Review B 98 (23), 235132 (2018)

E Fertitta, B Paulus, G Barcza, Ö Legeza, Investigation of metal–insulator-like transition through the ab initio density matrix renormalization group approach, Physical Review B 90 (24), 245129 (2014)