About me

Research activities

• High pressure phase transitions and crystal structure prediction

• High-throughput and materials discovery

• Polaron- and exciton-induced degradation in OLED materials

• Computational NMR and EPR spectroscopy

• First principles electronic structure and molecular dynamics

• Code and methods development

Past research activities

• Materials for solar energy capture and production

• Structure, chemistry and mechanical properties of cement

• Atomistic simulations of iron and steel interface solidification (Mintweld)

• High-k dielectrics

• Polaron- and exciton-induced degradation in polyethylene

• Structure and reactivity of amorphous silica surfaces

Documents

• Publications

• Curriculum Vitae

• Berry phase calculation of rotational and pseudorotational g-factors in molecules and solids (my PhD thesis in Sissa)

• Simulazioni classiche e da principi primi della superficie della silice amorfa (my undergraduate thesis in Materials Science at the University of Milano-Bicocca)