Stefano Curtarolo

Image of Stefano Curtarolo

Professor in the Department of Mechanical Engineering and Materials Science


  • 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.

Appointments and Affiliations
  • Professor in the Department of Mechanical Engineering and Materials Science
  • Professor in the Department of Electrical and Computer Engineering
  • Professor in the Department of Physics
  • Professor in the Department of Chemistry
  • Faculty Network Member of The Energy Initiative
  • Director of the Center for Materials Genomics
Contact Information:

  • Ph.D. Massachusetts Institute of Technology, 2003
  • M.S. Pennsylvania State University, 1999
  • M.S. University of Padua (Italy), 1995


Nanoscale/microscale computing systems
Computational Materials
Quantum Information

Awards, Honors, and Distinctions:

  • 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. 2008
  • Presidential Early Career Awards for Scientists and Engineers. President of the United States of America. 2007

Courses Taught:
  • ME 221L: Structure and Properties of Solids
  • ME 555: Advanced Topics in Mechanical Engineering

Representative Publications: (More Publications)
    • Sachet, E; Shelton, CT; Harris, JS; Gaddy, BE; Irving, DL; Curtarolo, S; Donovan, BF; Hopkins, PE; Sharma, PA; Sharma, AL; Ihlefeld, J; Franzen, S; Maria, JP, Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics., Nature Materials, vol 14 no. 4 (2015), pp. 414-420 [10.1038/nmat4203] [abs].
    • Isayev, O; Fourches, D; Muratov, EN; Oses, C; Rasch, K; Tropsha, A; Curtarolo, S, Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints, Chemistry of Materials, vol 27 no. 3 (2015), pp. 735-743 [10.1021/cm503507h] [abs].
    • Curtarolo, S; Agapito, LA; Buongiorno Nardelli, M, Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional for accelerated materials discovery, Phys. Rev., vol X 5 no. 011006 (2015) [abs].
    • Curtarolo, S; Hart, GL; Nardelli, MB; Mingo, N; Sanvito, S; Levy, O, The high-throughput highway to computational materials design., Nature Materials, vol 12 no. 3 (2013), pp. 191-201 [10.1038/nmat3568] [abs].
    • Yang, K; Setyawan, W; Wang, S; Buongiorno Nardelli, M; Curtarolo, S, A search model for topological insulators with high-throughput robustness descriptors., Nature Materials, vol 11 no. 7 (2012), pp. 614-619 [10.1038/nmat3332] [abs].