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

  • Office Location: 301 Hudson Hall, Box 90300, Durham, NC 27708
  • Office Phone: (919) 660-5506
  • Email Address:
  • Websites:


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

Research Interests

Computational materials science. Materials for energy applications. Artificial intelligence methods to materials genomics.

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

  • Alberi, K; Nardelli, MB; Zakutayev, A; Mitas, L; Curtarolo, S; Jain, A; Fornari, M; Marzari, N; Takeuchi, I; Green, ML; Kanatzidis, M; Toney, MF; Butenko, S; Meredig, B; Lany, S; Kattner, U; Davydov, A; Toberer, ES; Stevanovic, V; Walsh, A; Park, NG; Aspuru-Guzik, A; Tabor, DP; Nelson, J; Murphy, J; Setlur, A; Gregoire, J; Li, H; Xiao, R; Ludwig, A; Martin, LW; Rappe, AM; Wei, SH; Perkins, J, The 2019 materials by design roadmap, Journal of Physics D: Applied Physics, vol 52 no. 1 (2019) [10.1088/1361-6463/aad926] [abs].
  • Stanev, V; Oses, C; Kusne, AG; Rodriguez, E; Paglione, J; Curtarolo, S; Takeuchi, I, Machine learning modeling of superconducting critical temperature, Npj Computational Materials, vol 4 no. 1 (2018) [10.1038/s41524-018-0085-8] [abs].
  • Legrain, F; van Roekeghem, A; Curtarolo, S; Carrete, J; Madsen, GKH; Mingo, N, Vibrational Properties of Metastable Polymorph Structures by Machine Learning., Journal of Chemical Information and Modeling (2018) [10.1021/acs.jcim.8b00279] [abs].
  • Lederer, Y; Toher, C; Vecchio, KS; Curtarolo, S, The search for high entropy alloys: A high-throughput ab-initio approach, Acta Materialia, vol 159 (2018), pp. 364-383 [10.1016/j.actamat.2018.07.042] [abs].
  • Oses, C; Gossett, E; Hicks, D; Rose, F; Mehl, MJ; Perim, E; Takeuchi, I; Sanvito, S; Scheffler, M; Lederer, Y; Levy, O; Toher, C; Curtarolo, S, AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis., Journal of Chemical Information and Modeling (2018) [10.1021/acs.jcim.8b00393] [abs].