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Stefano Curtarolo, Professor of Mechanical Engineering and Materials Science and Electrical and Computer Engineering and Physics and Chemistry and Faculty Network Member of The Energy Initiative


Stefano Curtarolo


  • 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.

Contact Info:
Office Location:  301 Hudson Hall, Box 90300, Durham, NC 27708
Office Phone:  (919) 660-5506
Email Address: send me a message
Web Page:


Ph.D.Massachusetts Institute of Technology2003
MS - PhysicsPenn State University1999
M.S.Pennsylvania State University1999
Laurea in PhysicsUniversity of Padova1998
Laurea in Electrical EngineeringUniversity of Padova1995
M.S.University of Padua (Italy)1995


Nanoscale/microscale computing systems
Computational Materials
Quantum Information


Algorithms • Biophysics • Calcium Carbonate • Carbon • Computer Simulation • Crystallization • Data Mining • Electrodes • Electrons • Inorganic Chemicals • Lithium Compounds • Macromolecular Substances • Materials Testing • Models, Chemical • Models, Molecular • Molecular Conformation • Molecular Dynamics Simulation • Molecular Structure • Nanotechnology • Particle Size • Phonons • Pressure • Protons • Reproducibility of Results • Surface Properties • Temperature • Thermodynamics

Representative Publications   (More Publications)

  1. Curtarolo, S; Ceder, G, Dynamics of an inhomogeneously coarse grained multiscale system, Physical Review Letters, vol. 88 no. 25 I (2002), pp. 2555041-2555044, ISSN 0031-9007 [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 [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, ISSN 0031-9007 [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 (2006), pp. 180501 - 1, ISSN 1098-0121 [PhysRevB.73.180501], [doi]  [abs]
  5. Stan, G; Bojan, MJ; Curtarolo, S; Gatica, SM; Cole, MW, Uptake of gases in bundles of carbon nanotubes, Physical Review. B, Condensed Matter, vol. 62 no. 3 (2000), pp. 2173-2180, ISSN 0163-1829 [2173]  [abs]