Stefano Curtarolo


144 Hudson Hall
Campus Box: 
(919) 660-5310


First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys
Physical Review B (2009)

Thermopower of Molecular Junctions: An ab Initio Study
Nano Letters (2009)

Structures and Topological Transitions of Hydrocarbon Films on Quasicrystalline Surfaces
Physical Review Letters (2009)

Computational Studies of Catalytic Particles for Carbon Nanotube Growth
Journal Of Computational And Theoretical Nanoscience (2009)

Computational Studies of Small Carbon and Iron-Carbon Systems Relevant to Carbon Nanotube Growth
Journal Of Nanoscience And Nanotechnology (2008)

Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors
Physical Review B (2008)

Gas adsorption on quasicrystalline surfaces
Journal Of Physics-condensed Matter (2008)

Influence of Mo on the Fe : Mo : C nanocatalyst thermodynamics for single-walled carbon nanotube growth
Physical Review B (2008)

Reduced carbon solubility in fe nanoclusters and implications for the growth of single-walled carbon nanotubes
Physical Review Letters (2008)

Computational study of the thermal behavior of iron clusters on a porous substrate
Physical Review B (2008)


• Nanoscale Science of Energy
• Computational materials science
• Nanotube growth characterization
• Alloy theory
• Superlubricity on quasicrystals
• Superconductivity in Metal borides
• Genetic Approaches to QM Predictions of Materials Structures
• Materials for Nuclear Detection

The research is multidisciplinary abd makes use of state of the art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.

PhD in Materials Science - Massachussets Institute of Technology
MS - Physics - Penn State University
Laurea in Physics - University of Padova
Laurea in Electrical Engineering - University of Padova
2008 Best Paper Award, CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry)
2008 MRS Silver Medal Graduate Student Award, Materials Research Society
2008 NSF Early CAREER Award, National Science Foundation
2008 ONR Young Investigator Program Award, Office of Naval Research