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 Physics
  • Professor in the Department of Electrical and Computer Engineering
  • 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

Courses Taught:
  • ME 221L: Structure and Properties of Solids

Representative Publications: (More Publications)
    • Curtarolo, Stefano and Ceder, Gerbrand, Dynamics of an inhomogeneously coarse grained multiscale system, Physical Review Letters, vol 88 no. 25 I (2002), pp. 255504 - 1 [PhysRevLett.88.255504] [abs].
    • Curtarolo, Stefano and Morgan, Dane and Ceder, Gerbrand, Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol 29 no. 3 (2005), pp. 163 - 211 [002] [abs].
    • Curtarolo, Stefano and Setyawan, Wahyu and Ferralis, Nicola and Diehl, Renee D. and Cole, Milton W., Evolution of topological order in Xe films on a quasicrystal surface, Physical Review Letters, vol 95 no. 13 (2005), pp. 1 - 4 [PhysRevLett.95.136104] [abs].
    • Kolmogorov, A.N. and Curtarolo, S., Prediction of different crystal structure phases in metal borides: a lithium monoboride analog to MgB2, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 73 no. 18 (2006), pp. 180501 - 1 [PhysRevB.73.180501] [abs].
    • Stan, G. and Bojan, M.J. and Curtarolo, S. and Gatica, S.M. and Cole, M.W., Uptake of gases in bundles of carbon nanotubes, Phys. Rev. B, Condens. Matter (USA), vol 62 no. 3 (2000), pp. 2173 - 80 [2173] [abs].