Faculty Profiles

Stefano Curtarolo
Professor in the Department of Mechanical Engineering and Materials Science
Office: 
144 Hudson Hall, Durham, NC 27708
Phone: 
(919) 660-5310

Overview

Education:

Ph.D., Massachusetts Institute of Technology 2003

M.S., Pennsylvania State University 1999

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

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

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

Legrain, F, Carrete, J, van Roekeghem, A, Curtarolo, S, and Mingo, N. "How the Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids." Chemistry of Materials (June 22, 2017). 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-. 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, GLW. "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

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

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

Pages

Isayev, O, Fourches, D, Muratov, EN, Oses, C, Curtarolo, S, and Tropsha, A. "Quantitative materials structure-property relationships (QMSPR) modeling using novel electronic and structural descriptors." August 10, 2014.

Isayev, O, Fourches, D, Muratov, EN, Rasch, K, Curtarolo, S, and Tropsha, A. "Materials cartography: Navigating through chemical space using structural and electronic fingerprints." August 10, 2014.

Ceder, G, Curtarolo, S, Morgan, D, and Rodgers, JR. "First principles calculated databases for the prediction of intermetallic structure." September 2003.