Energy Materials Laboratory - Curtarolo Group
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Dr. Marco Buongiorno Nardelli

Publications

  • AFLOW v30928
  • 2014
  • 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 quasi-harmonic Debye Model, in press, Phys. Rev. B (2014). [arxiv]
  • L. A. Agapito, S. Curtarolo, and M. Buongiorno Nardelli, Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional for accelerated materials discovery, submitted (2014). [arxiv]
  • NEW [7/17/2014] R. H. Taylor, F. Rose, C. Toher, O. Levy, K. Yang, M. Buongiorno Nardelli, and S. Curtarolo, A RESTful API for exchanging materials data in the AFLOWLIB.org consortium, Comp. Mat. Sci. 93, 178-192 (2014).
  • 2013
  • L. A. Agapito, A. Ferretti, A. Calzolari, S. Curtarolo, and M. Buongiorno Nardelli, Effective and accurate representation of extended Bloch states on finite Hilbert spaces, Phys. Rev. B 88, 165127 (2013).
  • S. Curtarolo, G. L. W. Hart, M. Buongiorno Nardelli, N. Mingo, S. Sanvito, and O. Levy, The high-throughput highway to computational materials design, Nature Materials 12(3), 191-201 (2013).
    Note. Editorial: Fuelling discovery by sharing, Nature Materials 12(3), 173 (2013). [pdf] [doi]
  • 2012
  • K. Yang, W. Setyawan, S. Wang, M. Buongiorno Nardelli, and S. Curtarolo, A search model for topological insulators with high-throughput robustness descriptors, Nature Materials 11(7), 614-619 (2012).
  • S. Curtarolo, W. Setyawan, S. Wang, J. Xue, K. Yang, R. H. Taylor, L. J. Nelson, G. L. W. Hart, S. Sanvito, M. Buongiorno Nardelli, N. Mingo, and O. Levy, AFLOWLIB.ORG: a distributed materials properties repository from high-throughput ab initio calculations, Comp. Mat. Sci. 58, 227-235 (2012).