Stefano Curtarolo, Edmund T. Pratt Jr. School Distinguished Professor of Mechanical Engineering and Materials Science and Professor of Physics and Electrical and Computer Engineering and Director of the Center for Autonomous Materials Design and Faculty Network Member of The Energy Initiative  

Stefano Curtarolo

Office Location: 144 Hudson Hall, Box 90300, Durham, NC 27708
Office Phone: (919) 660-5506
Email Address:
Web Page:

Nanoscale/microscale computing systems
Computational Materials
Quantum Information

Ph.D., Massachusetts Institute of Technology, 2003
MS - Physics, Penn State University, 1999
M.S., Pennsylvania State University, 1999
Laurea in Physics, University of Padova, 1998
M.S., University of Padua (Italy), 1998
Laurea in Electrical Engineering, University of Padova, 1995
M.S., University of Padua (Italy), 1995

Teaching (Spring 2022):

  • Me 555.07, Advanced topics Synopsis
    Hudson 216, TuTh 05:15 PM-06:30 PM

Representative Publications   (More Publications)

  1. Curtarolo, S; Ceder, G, Dynamics of an inhomogeneously coarse grained multiscale system., Physical Review Letters, vol. 88 no. 25 Pt 1 (June, 2002), pp. 255504 [12097096], [doi]  [abs].
  2. Curtarolo, S; Morgan, D; Ceder, G, 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, Elsevier BV [002], [doi]  [abs].
  3. Curtarolo, S; Setyawan, W; Ferralis, N; Diehl, RD; Cole, MW, Evolution of topological order in Xe films on a quasicrystal surface., Physical Review Letters, vol. 95 no. 13 (September, 2005), pp. 136104 [16197154], [doi]  [abs].
  4. Kolmogorov, AN; Curtarolo, S, Prediction of different crystal structure phases in metal borides: A lithium monoboride analog to Mg B2, Physical Review B, vol. 73 no. 18 (May, 2006), pp. 180501 - 1, American Physical Society (APS) [PhysRevB.73.180501], [doi]  [abs].
  5. Stan, G; Bojan, MJ, Uptake of gases in bundles of carbon nanotubes, Physical Review B, vol. 62 no. 3 (January, 2000), pp. 2173-2180, American Physical Society (APS) [2173], [doi]  [abs].



  • Artificial Intelligence Materials Science
  • Autonomous Materials Design
  • Computational Materials Science
  • High-Entropy Disordered and Amorphous Systems
  • Materials for Energy Applications
  • Materials for Aerospace Applications
  • Materials for Deep Space Exploration

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.