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

Rost, CM, Sachet, E, Borman, T, Moballegh, A, Dickey, EC, Hou, D, Jones, JL, Curtarolo, S, and Maria, J-P. "Entropy-stabilized oxides." Nature Communications 6 (January 2015): 8485-null. Full Text

Curtarolo, S, Agapito, LA, and Buongiorno Nardelli, M. "Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional for accelerated materials discovery." Phys. Rev. X 5.011006 (2015).

Carrete, J, Mingo, N, Wang, S, and Curtarolo, S. "Nanograined half-heusler semiconductors as advanced thermoelectrics: An ab initio high-throughput statistical study." Advanced Functional Materials 24.47 (December 17, 2014): 7427-7432. Full Text

Yong, J, Jiang, Y, Usanmaz, D, Curtarolo, S, Zhang, X, Li, L, Pan, X, Shin, J, Takeuchi, I, and Greene, RL. "Robust topological surface state in Kondo insulator SmB 6 thin films." Applied Physics Letters 105.22 (December 2014): 222403-222403. Full Text

Toher, C, Plata, JJ, Levy, O, de Jong, M, Asta, M, Nardelli, MB, and Curtarolo, S. "High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model." Physical Review B 90.17 (November 2014). Full Text

Curtarolo, S, Hart, GLW, Nardelli, MB, Mingo, N, Sanvito, S, and Levy, O. "The high-throughput highway to computational materials design." Nature Materials 12.3 (March 2013): 191-201. Full Text

"Fuelling discovery by sharing." Nature Materials 12.3 (March 2013): 173-173. Full Text

Yang, K, Setyawan, W, Wang, S, Buongiorno Nardelli, M, and Curtarolo, S. "A search model for topological insulators with high-throughput robustness descriptors." Nature Materials 11.7 (July 2012): 614-619. Full Text

Setyawan, W, Gaume, RM, Lam, S, Feigelson, RS, and Curtarolo, S. "High-throughput combinatorial database of electronic band structures for inorganic scintillator materials." Acs Combinatorial Science 13.4 (July 2011): 382-390. Full Text

Chepulskii, RV, and Curtarolo, S. "Ab initio insights on the shapes of platinum nanocatalysts." ACS Nano 5.1 (January 25, 2011): 247-254. Full Text