Faculty Profiles

Stefano Curtarolo
Professor in the Department of Chemistry
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

Setyawan, W, Gaume, RM, Feigelson, RS, and Curtarolo, S. "Comparative Study of Nonproportionality and Electronic Band Structures Features in Scintillator Materials." Ieee Transactions on Nuclear Science 56.5 (October 2009): 2989-2996. Full Text

Li, HI, Pussi, K, Hanna, KJ, Wang, L-L, Johnson, DD, Cheng, H-P, Shin, H, Curtarolo, S, Moritz, W, Smerdon, JA, McGrath, R, and Diehl, RD. "Surface geometry of C(60) on Ag(111)." Phys Rev Lett 103.5 (July 31, 2009): 056101-. Full Text

Ke, S-H, Yang, W, Curtarolo, S, and Baranger, HU. "Thermopower of molecular junctions: an ab initio study." Nano Lett 9.3 (March 2009): 1011-1014. Full Text

Setyawan, W, Diehl, RD, and Curtarolo, S. "Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces." Phys Rev Lett 102.5 (February 6, 2009): 055501-. Full Text

Chepulskii, RV, and Curtarolo, S. "First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys." Physical Review B - Condensed Matter and Materials Physics 79.13 (2009). Full Text

Bolton, K, Ding, F, Börjesson, A, Zhu, W, Duan, H, Rosén, A, Harutyunyan, AR, and Curtarolo, S. "Computational studies of catalytic particles for carbon nanotube growth." Journal of Computational and Theoretical Nanoscience 6.1 (2009): 1-15. Full Text

Chepulskii, RV, and Curtarolo, S. "Calculation of solubility in titanium alloys from first principles." Acta Materialia 57.18 (2009): 5314-5323. Full Text

Duan, H, Rosén, A, Harutyunyan, A, Curtarolo, S, and Bolton, K. "Computational studies of small carbon and iron-carbon systems relevant to carbon nanotube growth." J Nanosci Nanotechnol 8.11 (November 2008): 6170-6177.

Harutyunyan, AR, Awasthi, N, Jiang, A, Setyawan, W, Mora, E, Tokune, T, Bolton, K, and Curtarolo, S. "Reduced carbon solubility in Fe nanoclusters and implications for the growth of single-walled carbon nanotubes." Phys Rev Lett 100.19 (May 16, 2008): 195502-. Full Text

Curtarolo, S, Awasthi, N, Setyawan, W, Jiang, A, Bolton, K, Tokune, T, and Harutyunyan, AR. "Influence of Mo on the Fe:Mo:C nanocatalyst thermodynamics for single-walled carbon nanotube growth." Physical Review B - Condensed Matter and Materials Physics 78.5 (2008). Full Text