Faculty Profiles

Stefano Curtarolo
Professor in the Department of Mechanical Engineering and Materials Science
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

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-. 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-. 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

Nyshadham, C, Oses, C, Hansen, JE, Takeuchi, I, Curtarolo, S, and Hart, GL. "A computational high-throughput search for new ternary superalloys." Acta Materialia 122 (January 2017): 438-447. Full Text

Li, G, Zhang, D, Qiao, Q, Yu, Y, Peterson, D, Zafar, A, Kumar, R, Curtarolo, S, Hunte, F, Shannon, S, Zhu, Y, Yang, W, and Cao, L. "All The Catalytic Active Sites of MoS2 for Hydrogen Evolution." Journal of the American Chemical Society 138.51 (December 15, 2016): 16632-16638. Full Text

Nath, P, Plata, JJ, Usanmaz, D, Al Rahal Al Orabi, R, Fornari, M, Nardelli, MB, Toher, C, and Curtarolo, S. "High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation." Computational Materials Science 125 (December 2016): 82-91. Full Text

Lee, D, Zhao, B, Perim, E, Zhang, H, Gong, P, Gao, Y, Liu, Y, Toher, C, Curtarolo, S, Schroers, J, and Vlassak, JJ. "Crystallization behavior upon heating and cooling in Cu 50 Zr 50 metallic glass thin films." Acta Materialia 121 (December 2016): 68-77. Full Text

van Roekeghem, A, Carrete, J, Oses, C, Curtarolo, S, and Mingo, N. "High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites." Physical Review X 6.4 (December 2016). Full Text

Pandey, SJ, Joshi, G, Wang, S, Curtarolo, S, and Gaume, RM. "Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics." Journal of Electronic Materials 45.11 (November 1, 2016): 5526-5532. Full Text

Barzilai, S, Toher, C, Curtarolo, S, and Levy, O. "Evaluation of the tantalum-titanium phase diagram from ab-initio calculations." Acta Materialia 120 (November 2016): 255-263. Full Text