Faculty Profiles

Stefano Curtarolo
Professor in the Department of Chemistry
301 Hudson Hall, Box 90300, Durham, NC 27708
(919) 660-5506



Ph.D., Massachusetts Institute of Technology 2003

M.S., Pennsylvania State University 1999

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

Curtaroloa, S, Awasthia, N, Setyawana, W, Lia, N, Jianga, A, Tan, TY, Morab, E, Boltonc, K, and Harutyunyanb, AR. "Thermodynamics of carbon in iron nanoparticles at low temperature: Reduced solubility and size-induced nucleation of cementite." Physics Procedia 6 (2010): 16-26. Full Text

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

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

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, LL, Johnson, DD, Cheng, HP, Shin, H, Curtarolo, S, Moritz, W, Smerdon, JA, McGrath, R, and Diehl, RD. "Surface geometry of C(60) on Ag(111)." Physical Review Letters 103.5 (July 27, 2009): 056101-null. 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