My expertise is: (1) ab-initio methods development and (2) atomistic modeling of materials with complex structure and dynamics.
Currently, my research activities are: high pressure; crystal structure prediction; high-throughput materials discovery; exciton-induced degradation in OLED/polymer materials; computational NMR and EPR spectroscopy; industry-motivated problems.
My past research activities were: materials for solar energy capture and production; structure, chemistry and mechanical properties of cement; atomistic simulations of iron and steel interface solidification; friction; high-k dielectrics; structure and reactivity of amorphous silica surfaces.
• Senior Researcher, CNR-SCITEC (2020-present)
• Researcher, CNR-ISTM (2011-2019)
• Senior Research Fellow, MML, Oxford University (2010-2011)
• Senior Research Fellow, DMSE, MIT, Boston MA USA (2008-2010)
• Temporary Researcher, SISSA, Trieste (2005-2008)
• Postdoc, Department of Physics, Rutgers University, Piscataway NJ, USA (2004)
• Postdoc, SISSA, Trieste (2003)
• PhD in Theory of Condensed Matter at SISSA, Trieste (2002)
• Laurea in Materials Science, at the University of Milano-Bicocca (1999)
• Ab initio simulations
• High-throughput materials discovery
• Crystal Structure _Prediction
• High pressure
• Code development
• Computational spectroscopy
• Ab-initio calculations
• Density Functional Theory
• Molecular Dynamics & Monte Carlo
• Machine Learning
• Quantum Espresso