Professor in the Department of Mechanical Engineering and Materials Science
- Nanoscale Science of Energy
- Computational materials science
- Nanotube growth characterization
- Alloy theory
- Superlubricity on quasicrystals
- Superconductivity in Metal borides
- Genetic Approaches to QM Predictions of Materials Structures
- Materials for Nuclear Detection
The research is multidisciplinary and makes use of state of the art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.
Synergetic Efforts in Automatic Accelerated Materials Design awarded by Office of Naval Research (Principal Investigator). 2016 to 2019
Disorder as the discovery enabler for transition-metal mixed-anion materials awarded by Office of Naval Research (Co-Principal Investigator). 2017 to 2018
DMREF: GOALI: Collaborative Research: High-Throughput Simulations and Experiments to Develop Metallic Glasses awarded by National Science Foundation (Principal Investigator). 2014 to 2018
High-throughput Prediction of High-pressure Materials Properties for the AFLOWLIB Database awarded by Office of Naval Research (Principal Investigator). 2016 to 2018
Topological decompositions and spectral sampling algorithms for element substitution in critical technologies awarded by Office of Naval Research (Principal Investigator). 2013 to 2018
The Science of Entropy Stabilized Ultra-High Temperature Materials awarded by North Carolina State University (Principal Investigator). 2015 to 2018
Reciprocating materials design with the AFLOWLIB.org repository awarded by Office of Naval Research (Principal Investigator). 2014 to 2018
Mineralogy Genome Project: extending the AFLOWLIB.org repository to geophysical and environmental materials awarded by Office of Naval Research (Principal Investigator). 2015 to 2017
Materials Project for Functional Electronic Materials Design awarded by Ernest Orlando Lawrence Berkeley National Laboratory (Principal Investigator). 2013 to 2017
Integration of the experimental superconductor database with AFLOWLIB awarded by University of Maryland (Principal Investigator). 2016 to 2017
Buongiorno Nardelli, M, Cerasoli, FT, Costa, M, Curtarolo, S, De Gennaro, R, Fornari, M, Liyanage, L, Supka, AR, and Wang, H. "PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials (Accepted)." Computational Materials Science 143 (February 15, 2018): 462-472. Full Text
Barzilai, S, Toher, C, Curtarolo, S, and Levy, O. "The effect of lattice stability determination on the computational phase diagrams of intermetallic alloys." Journal of Alloys and Compounds 728 (December 2017): 314-321. 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 (November 2017). 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-. 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
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.
Curtarolo, S. "Distributed synergies for materials development: The aflowlib.org consortium." March 25, 2012.
Ceder, G, Curtarolo, S, Morgan, D, and Rodgers, JR. "First principles calculated databases for the prediction of intermetallic structure." September 2003.