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

Plata, JJ, Nath, P, Usanmaz, D, Carrete, J, Toher, C, de Jong, M, Asta, M, Fornari, M, Nardelli, MB, and Curtarolo, S. "An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library." npj Computational Materials 3.1 (December 2017). Full Text

Lee, S, Wang, H, Gopal, P, Shin, J, Jaim, HMI, Zhang, X, Jeong, S-Y, Usanmaz, D, Curtarolo, S, Fornari, M, Buongiorno Nardelli, M, and Takeuchi, I. "Systematic Band Gap Tuning of BaSnO 3 via Chemical Substitutions: The Role of Clustering in Mixed-Valence Perovskites." Chemistry of Materials 29.21 (November 14, 2017): 9378-9385. Full Text

Gopal, P, De Gennaro, R, Gusmao, MSDS, Al Rahal Al Orabi, R, Wang, H, Curtarolo, S, Fornari, M, and Buongiorno Nardelli, M. "Improved electronic structure and magnetic exchange interactions in transition metal oxides." Journal of physics. Condensed matter : an Institute of Physics journal 29.44 (November 2017): 444003-. Full Text

Rose, F, Toher, C, Gossett, E, Oses, C, Nardelli, MB, Fornari, M, and Curtarolo, S. "AFLUX: The LUX materials search API for the AFLOW data repositories." Computational Materials Science 137 (September 2017): 362-370. Full Text

Legrain, F, Carrete, J, van Roekeghem, A, Curtarolo, S, and Mingo, N. "How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids." Chemistry of Materials 29.15 (August 8, 2017): 6220-6227. Full Text

Supka, AR, Lyons, TE, Liyanage, L, D’Amico, P, Al Rahal Al Orabi, R, Mahatara, S, Gopal, P, Toher, C, Ceresoli, D, Calzolari, A, Curtarolo, S, Nardelli, MB, and Fornari, M. "AFLOW π: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians." Computational Materials Science 136 (August 2017): 76-84. Full Text

Mehl, MJ, Hicks, D, Toher, C, Levy, O, Hanson, RM, Hart, G, and Curtarolo, S. "The AFLOW Library of Crystallographic Prototypes: Part 1." Computational Materials Science 136 (August 2017): S1-S828. Full Text

Isayev, O, Oses, C, Toher, C, Gossett, E, Curtarolo, S, and Tropsha, A. "Universal fragment descriptors for predicting properties of inorganic crystals." Nature Communications 8 (June 5, 2017): 15679-null. Full Text

Sanvito, S, Oses, C, Xue, J, Tiwari, A, Zic, M, Archer, T, Tozman, P, Venkatesan, M, Coey, M, and Curtarolo, S. "Accelerated discovery of new magnets in the Heusler alloy family." Science Advances 3.4 (April 14, 2017): e1602241-null. Full Text

Nath, P, Plata, JJ, Usanmaz, D, Toher, C, Fornari, M, Buongiorno Nardelli, M, and Curtarolo, S. "High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity." Scripta Materialia 129 (March 2017): 88-93. Full Text