Stefano Leoni

Cardiff University, Cardiff, Wales, United Kingdom 
Molecular Dynamics, Materials for Energy, Phase Transitions, Battery Materials, Thermoelectrics, Energy Storage, Biological Chemistry, Parallel Computing, Inorganic Chemistry, Materials Chemistry
"Stefano Leoni"
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Craco L, Leoni S. (2020) Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3 Physical Review B. 101
Craco L, Carara SS, Leoni S. (2019) Electronic structure of BiFeO3 in the presence of strong electronic correlations Physical Review B. 99
Craco L, Leoni S. (2019) Theory of two-fluid metallicity in superconducting FeSe at high pressure Physical Review B. 100: 121101
Craco L, Leoni S. (2019) LDA+DMFT approach to electronic structure of sodium metal Physical Review B. 100: 115156
Jobbins SA, Boulfelfel SE, Leoni S. (2018) Metashooting: a novel tool for free energy reconstruction from polymorphic phase transition mechanisms. Faraday Discussions
Craco L, Leoni S. (2018) Microscopic description of localization-delocalization transitions in BaFe 2 S 3 Physical Review B. 98: 195107
Craco L, Pereira TAdS, Ferreira SR, et al. (2018) Kondo-semimetal to Fermi-liquid phase crossover in black phosphorus to pressure-induced orbital-nematic gray phosphorus Physical Review B. 98
Craco L, Laad MS, Leoni S. (2017) Microscopic description of insulator-metal transition in high-pressure oxygen. Scientific Reports. 7: 2632
Craco L, Leoni S. (2017) Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study. Scientific Reports. 7: 46439
Springer S, Heidenreich N, Stock N, et al. (2017) The ZIF system zinc(II) 4,5-dichoroimidazolate: theoretical and experimental investigations of the polymorphism and crystallization mechanisms Zeitschrift Fur Kristallographie. 232: 77-90
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