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
  • 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), 2005
  • MRS Silver Medal Graduate Student Award, Materials Research Society, 2002
  • NSF Early CAREER Award, National Science Foundation, 2007
  • ONR Young Investigator Program Award, Office of Naval Research, 2007

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

Representative Publications: (More Publications)
    • Carrete, J; Mingo, N; Wang, S; Curtarolo, S, Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study, Advanced Functional Materials, vol 24 no. 47 (2014), pp. 7427-7432 [10.1002/adfm.201401201] [abs].
    • Taylor, RH; Rose, F; Toher, C; Levy, O; Yang, K; Buongiorno Nardelli, M; Curtarolo, S, A RESTful API for exchanging materials data in the consortium, Computational Materials Science, vol 93 (2014), pp. 178-192 [10.1016/j.commatsci.2014.05.014] [abs].
    • Carrete, J; Mingo, N; Curtarolo, S, Low thermal conductivity and triaxial phononic anisotropy of SnSe, Applied Physics Letters, vol 105 no. 10 (2014), pp. 101907-101907 [10.1063/1.4895770] [abs].
    • Hirsch, A; Azuri, I; Addadi, L; Weiner, S; Yang, K; Curtarolo, S; Kronik, L, Infrared Absorption Spectrum of Brushite from First Principles, Chemistry of Materials, vol 26 no. 9 (2014), pp. 2934-2942 [10.1021/cm500650t] [abs].
    • Martínez-Guerra, E; Ortíz-Chi, F; Curtarolo, S; de Coss, R, Pressure effects on the electronic structure and superconducting critical temperature of Li2B2., Journal of Physics: Condensed Matter, vol 26 no. 11 (2014) [10.1088/0953-8984/26/11/115701] [abs].