Stefano Curtarolo


Faculty Network Member of Energy Initiative

144 Hudson Hall, Durham, NC 27708
Campus Box: 
(919) 660-5310


Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.
Nature materials (2015)

The AFLOW standard for high-throughput materials science calculations
Computational Materials Science (2015)

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional
Physical Review B (2015)

Finding the stable structures ofwith anhigh-throughput approach
Physical Review B (2015)

Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics.
Nature materials (2015)

Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
Chemistry of Materials (2015)

Entropy-stabilized oxides.
Nature communications (2015)

Reformulation ofas a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery
Physical Review X (2015)

Charting the complete elastic properties of inorganic crystalline compounds.
Scientific data (2015)

Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional for accelerated materials discovery
Phys. Rev. (2015)


  • 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 and makes use of state of the art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.

Ph.D. - Massachusetts Institute of Technology
MS - Physics - Penn State University
M.S. - Pennsylvania State University
Laurea in Physics - University of Padova
Laurea in Electrical Engineering - University of Padova
M.S. - University of Padua (Italy)
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
2007 Presidential Early Career Awards for Scientists and Engineers, President of the United States of America