Faculty Profiles

Stefano Curtarolo
Professor in the Department of Chemistry
Office: 
301 Hudson Hall, Box 90300, Durham, NC 27708
Phone: 
(919) 660-5506

Overview

Education:

Ph.D., Massachusetts Institute of Technology 2003

M.S., Pennsylvania State University 1999

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

Friedrich, R., et al. “Coordination corrected ab initio formation enthalpies.” Npj Computational Materials, vol. 5, no. 1, Dec. 2019. Scopus, doi:10.1038/s41524-019-0192-1. Full Text

Hicks, D., et al. “The AFLOW Library of Crystallographic Prototypes: Part 2.” Computational Materials Science, vol. 161, Apr. 2019, pp. S1–1011. Scopus, doi:10.1016/j.commatsci.2018.10.043. Full Text

Avery, P., et al. “XTALOPT Version r12: An open-source evolutionary algorithm for crystal structure prediction.” Computer Physics Communications, vol. 237, Apr. 2019, pp. 274–75. Scopus, doi:10.1016/j.cpc.2018.11.016. Full Text

Harrington, T. J., et al. “Phase stability and mechanical properties of novel high entropy transition metal carbides.” Acta Materialia, vol. 166, Mar. 2019, pp. 271–80. Scopus, doi:10.1016/j.actamat.2018.12.054. Full Text

Sławińska, J., et al. “Giant spin Hall effect in two-dimensional monochalcogenides.” 2d Materials, vol. 6, no. 2, Feb. 2019. Scopus, doi:10.1088/2053-1583/ab0146. Full Text

Alberi, K., et al. “The 2019 materials by design roadmap.” Journal of Physics D: Applied Physics, vol. 52, no. 1, Jan. 2019. Scopus, doi:10.1088/1361-6463/aad926. Full Text

Stanev, V., et al. “Machine learning modeling of superconducting critical temperature.” Npj Computational Materials, vol. 4, no. 1, Dec. 2018. Scopus, doi:10.1038/s41524-018-0085-8. Full Text

Oses, Corey, et al. “AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis..” Journal of Chemical Information and Modeling, vol. 58, no. 12, Dec. 2018, pp. 2477–90. Epmc, doi:10.1021/acs.jcim.8b00393. Full Text

Legrain, Fleur, et al. “Vibrational Properties of Metastable Polymorph Structures by Machine Learning..” Journal of Chemical Information and Modeling, vol. 58, no. 12, Dec. 2018, pp. 2460–66. Epmc, doi:10.1021/acs.jcim.8b00279. Full Text

Sarker, Pranab, et al. “High-entropy high-hardness metal carbides discovered by entropy descriptors..” Nature Communications, vol. 9, no. 1, Nov. 2018. Epmc, doi:10.1038/s41467-018-07160-7. Full Text

Pages

Hosseinian, S., et al. “The maximum edge weight clique problem: Formulations and solution approaches.” Springer Optimization and Its Applications, vol. 130, 2017, pp. 217–37. Scopus, doi:10.1007/978-3-319-68640-0_10. Full Text

Isayev, Olexandr, et al. “Quantitative materials structure-property relationships (QMSPR) modeling using novel electronic and structural descriptors.” Abstracts of Papers of the American Chemical Society, vol. 248, AMER CHEMICAL SOC, 2014.

Isayev, Olexandr, et al. “Materials cartography: Navigating through chemical space using structural and electronic fingerprints.” Abstracts of Papers of the American Chemical Society, vol. 248, AMER CHEMICAL SOC, 2014.

Curtarolo, Stefano. “Distributed synergies for materials development: The aflowlib.org consortium.” Abstracts of Papers of the American Chemical Society, vol. 243, AMER CHEMICAL SOC, 2012.

Ceder, G., et al. “First principles calculated databases for the prediction of intermetallic structure..” Abstracts of Papers of the American Chemical Society, vol. 226, 2003, pp. U303–U303.