Energy Materials Laboratory - Curtarolo Group
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C. Toher, J. J. Plata, O. Levy, M. de Jong, M. D. Asta, M. Buongiorno Nardelli, and S. Curtarolo, High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model, Phys. Rev. B 90, 174107 (2014). [doi=10.1103/PhysRevB.90.174107]

J. Carrete, N. Mingo, S. Wang and S. Curtarolo, Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study, Adv. Funct. Mater. (2014). [doi=10.1002/adfm.201401201]

J. Carrete, N. Mingo and S. Curtarolo, Low thermal conductivity and triaxial phononic anisotropy of SnSe, App. Phys. Lett. 105, 101907 (2014). [doi=10.1063/1.4895770]

R. Taylor, F. Rose, C. Toher, O. Levy, K. Yang, M. B. Nardelli and S. Curtarolo , A RESTful API for exchanging materials data in the consortium, Comp. Mat. Sci. 93178-192 (2014). [doi=10.1016/j.commatsci.2014.05.014]

W. Setyawan and S. Curtarolo, High-throughput electronic structure calculations: challenges and tools, Comp. Mat. Sci. 49, 299-312 (2010). [doi=10.1016/j.commatsci.2010.05.010]
Most downloaded article of Comp. Mat. Sci. for the period October - December 2013 (and earlier).
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Energy Materials Laboratory - Curtarolo Group at Duke University
Welcome to the Energy Materials Laboratory - Curtarolo Group

2013 Fellow of the American Physical Society - Division of Computational Physics: for automatic high-throughput computational materials science, and for the creation of on-line materials development techniques.
2013 DOD-MURI Award, 8.6M$ as PI, Topological decompositions and spectral sampling algorithms for element substitution in critical technologies, Duke University, UMD, UNT, CMU, BYU.
2013 Stansell Distinguished Research Award, Duke University.
2012 Invited Review in Nature Materials, S. Curtarolo et al., Nat. Mater. 12, 191 (2013).
2011 IUPAP Young Scientist Prize in Computational Physics: for pioneering high-throughput combi- natorial computational materials science, for the creation of on-line materials development techniques, and for the development of thermodynamic models for nano-catalysts.
2011 Fellow of the Institute of Physics (IOP).
2009 Cover for Physical Review Letters 103(5): C60 molecules (green) adsorbed in vacancy sites on a silver 111 surface (blue). See also Viewpoint in Physics and Editors' Suggestions.
2009 Feinberg Foundation Visiting Faculty Program Fellowship, Weizmann Institute.
2007 PECASE Presidential Award: Department of Defense - Office of Naval Research (DoD-ONR, 1M$ award) Awarded Dec. 2008.
2007 NSF CAREER Award: Genetic Approaches to Quantum Mechanics Predictions of Materials Structures.
2007 ONR YIP Award: High-throughput ab initio combinatorial materials characterization of oxidation resistant titanium alloys and novel boride superconductors.

Research interests:
Materials for Energy Storage
Materials for Energy Conversion (catalysis, thermoelectrics, photovoltaics)
Materials for Energy Transportation (topological insulators)
Materials for Nuclear Detection (scintillators)
Computational Nanotechnology
Combinatorial Materials Science
Adsorption and fuel storage in Nanostructures
High-Throughput ab-initio computing: transition-metal binary alloys
Titanium alloys
Alloy theory, genetic algorithms
Multiscale modeling of materials
Quasicrystalline surfaces
Nano catalysis (an-initio thermodynamic)

Research Sponsors: