Stefano Curtarolo

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 Chemistry
  • Professor in the Department of Physics
  • 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


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

In the News

Representative Publications

  • Nath, P; Plata, JJ; Usanmaz, D; Toher, C; Fornari, M; Buongiorno Nardelli, M; Curtarolo, S, High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity, Scripta Materialia, vol 129 (2017), pp. 88-93 [10.1016/j.scriptamat.2016.09.034] [abs].
  • Nyshadham, C; Oses, C; Hansen, JE; Takeuchi, I; Curtarolo, S; Hart, GLW, A computational high-throughput search for new ternary superalloys, Acta Materialia, vol 122 (2017), pp. 438-447 [10.1016/j.actamat.2016.09.017] [abs].
  • Li, G; Zhang, D; Qiao, Q; Yu, Y; Peterson, D; Zafar, A; Kumar, R; Curtarolo, S; Hunte, F; Shannon, S; Zhu, Y; Yang, W; Cao, L, All The Catalytic Active Sites of MoS 2 for Hydrogen Evolution, Journal of the American Chemical Society, vol 138 no. 51 (2016), pp. 16632-16638 [10.1021/jacs.6b05940] [abs].
  • Nath, P; Plata, JJ; Usanmaz, D; Al Rahal Al Orabi, R; Fornari, M; Nardelli, MB; Toher, C; Curtarolo, S, High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation, Computational Materials Science, vol 125 (2016), pp. 82-91 [10.1016/j.commatsci.2016.07.043] [abs].
  • Lee, D; Zhao, B; Perim, E; Zhang, H; Gong, P; Gao, Y; Liu, Y; Toher, C; Curtarolo, S; Schroers, J; Vlassak, JJ, Crystallization behavior upon heating and cooling in Cu50Zr50 metallic glass thin films, Acta Materialia, vol 121 (2016), pp. 68-77 [10.1016/j.actamat.2016.08.076] [abs].