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

Contact Information:


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

Awards, Honors, and Distinctions:

  • Fellow. American Physical Society. 2013
  • 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
  • Faculty Early Career Development (CAREER) Program. National Science Foundation. 2007
  • Presidential Early Career Awards for Scientists and Engineers. President of the United States of America. 2007

Courses Taught:

  • ME 555: Advanced Topics in Mechanical Engineering

In the News:

Representative Publications:

  • Buongiorno Nardelli, M; Cerasoli, FT; Costa, M; Curtarolo, S; De Gennaro, R; Fornari, M; Liyanage, L; Supka, AR; Wang, H, PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials, Computational Materials Science, vol 143 (2018), pp. 462-472 [10.1016/j.commatsci.2017.11.034] [abs].
  • Hever, A; Oses, C; Curtarolo, S; Levy, O; Natan, A, The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials., Inorganic Chemistry, vol 57 no. 2 (2018), pp. 653-667 [10.1021/acs.inorgchem.7b02462] [abs].
  • Barzilai, S; Toher, C; Curtarolo, S; Levy, O, The effect of lattice stability determination on the computational phase diagrams of intermetallic alloys, Journal of Alloys and Compounds, vol 728 (2017), pp. 314-321 [10.1016/j.jallcom.2017.08.263] [abs].
  • Plata, JJ; Nath, P; Usanmaz, D; Carrete, J; Toher, C; de Jong, M; Asta, M; Fornari, M; Nardelli, MB; Curtarolo, S, An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library, vol 3 no. 1 (2017) [10.1038/s41524-017-0046-7] [abs].
  • Gopal, P; De Gennaro, R; Gusmao, MSDS; Al Rahal Al Orabi, R; Wang, H; Curtarolo, S; Fornari, M; Buongiorno Nardelli, M, Improved electronic structure and magnetic exchange interactions in transition metal oxides., Journal of Physics: Condensed Matter, vol 29 no. 44 (2017) [10.1088/1361-648x/aa8643] [abs].