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

Isayev, O, Fourches, D, Muratov, EN, Oses, C, Rasch, K, Tropsha, A, and Curtarolo, S. "Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints." Chemistry of Materials 27.3 (February 10, 2015): 735-743. Full Text

Agapito, LA, Curtarolo, S, and Buongiorno Nardelli, M. "Reformulation of as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery." Physical Review X 5.1 (January 2015). Full Text

de Jong, M, Chen, W, Angsten, T, Jain, A, Notestine, R, Gamst, A, Sluiter, M, Krishna Ande, C, van der Zwaag, S, Plata, JJ, Toher, C, Curtarolo, S, Ceder, G, Persson, KA, and Asta, M. "Charting the complete elastic properties of inorganic crystalline compounds." Scientific Data 2 (January 2015): 150009-null. Full Text

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