Faculty Profiles

Stefano Curtarolo
Professor in the Department of Mechanical Engineering and Materials Science
144 Hudson Hall, Durham, NC 27708
(919) 660-5310



Ph.D., Massachusetts Institute of Technology 2003

M.S., Pennsylvania State University 1999

M.S., University of Padua (Italy) 1995

Mehl, MJ, Hart, GLW, and Curtarolo, S. "Density functional study of the L10-αIrV transition in IrV and RhV." Journal of Alloys and Compounds 509.3 (2011): 560-567. Full Text

Wang, S, Wang, Z, Setyawan, W, Mingo, N, and Curtarolo, S. "Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations." Physical Review X 1.2 (2011): 1-8. Full Text

Cervantes-Sodi, F, McNicholas, TP, Simmons, JG, Liu, J, Csányi, G, Ferrari, AC, and Curtarolo, S. "Viscous state effect on the activity of Fe nanocatalysts." ACS Nano 4.11 (November 23, 2010): 6950-6956. Full Text Open Access Copy

Taylor, RH, Curtarolo, S, and Hart, GLW. "Predictions of the Pt(8)Ti phase in unexpected systems." J Am Chem Soc 132.19 (May 19, 2010): 6851-6854. Full Text Open Access Copy

Levy, O, Hart, GLW, and Curtarolo, S. "Uncovering compounds by synergy of cluster expansion and high-throughput methods." J Am Chem Soc 132.13 (April 7, 2010): 4830-4833. Full Text Open Access Copy

Levy, O, Chepulskii, RV, Hart, GLW, and Curtarolo, S. "The new face of rhodium alloys: revealing ordered structures from first principles." J Am Chem Soc 132.2 (January 20, 2010): 833-837. Full Text Open Access Copy

Chepulskii, RV, and Curtarolo, S. "First principles study of Ag, Au, and Cu surface segregation in FePt-L 10." Applied Physics Letters 97.22 (2010). Full Text Open Access Copy

Setyawan, W, and Curtarolo, S. "High-throughput electronic band structure calculations: Challenges and tools." Computational Materials Science 49.2 (2010): 299-312. Full Text

Levy, O, Hart, GLW, and Curtarolo, S. "Structure maps for hcp metals from first-principles calculations." Physical Review B - Condensed Matter and Materials Physics 81.17 (2010). Full Text Open Access Copy

Levy, O, Hart, GLW, and Curtarolo, S. "Hafnium binary alloys from experiments and first principles." Acta Materialia 58.8 (2010): 2887-2897. Full Text