# Stefano Curtarolo

### Publications

**Papers Published**

- R. V. Chepulskii and S. Curtarolo,
*First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys*, Physical Review B, vol 79 no. 13 (2009) [abs]. - S. H. Ke and M. Yang and S. Curtarolo and H. U. Baranger,
*Thermopower of Molecular Junctions: An ab Initio Study*, Nano Letters, vol 9 no. 3 (2009), pp. 1011 -- 1014 [abs]. - W. Setyawan and R. D. Diehl and S. Curtarolo,
*Structures and Topological Transitions of Hydrocarbon Films on Quasicrystalline Surfaces*, Physical Review Letters, vol 102 no. 5 (2009) [abs]. - K. Bolton and F. Ding and A. Borjesson and W. M. Zhu and H. M. Duan and A. Rosen and A. R. Harutyunyan and S. Curtarolo,
*Computational Studies of Catalytic Particles for Carbon Nanotube Growth*, Journal Of Computational And Theoretical Nanoscience, vol 6 no. 1 (2009), pp. 1 -- 15 [abs]. - H. M. Duan and A. Rosen and A. Harutyunyan and S. Curtarolo and K. Bolton,
*Computational Studies of Small Carbon and Iron-Carbon Systems Relevant to Carbon Nanotube Growth*, Journal Of Nanoscience And Nanotechnology, vol 8 no. 11 (2008), pp. 6170 -- 6177 [abs]. - A. N. Kolmogorov and M. Calandra and S. Curtarolo,
*Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors*, Physical Review B, vol 78 no. 9 (2008) [abs]. - R. D. Diehl and W. Setyawan and S. Curtarolo,
*Gas adsorption on quasicrystalline surfaces*, Journal Of Physics-condensed Matter, vol 20 no. 31 (2008) [abs]. - S. Curtarolo and N. Awasthi and W. Setyawan and A. Q. Jiang and K. Bolton and T. Tokune and A. R. Harutyunyan,
*Influence of Mo on the Fe : Mo : C nanocatalyst thermodynamics for single-walled carbon nanotube growth*, Physical Review B, vol 78 no. 5 (2008) [abs]. - A. R. Harutyunyan and N. Awasthi and A. Jiang and W. Setyawan and E. Mora and T. Tokune and K. Bolton and S. Curtarolo,
*Reduced carbon solubility in fe nanoclusters and implications for the growth of single-walled carbon nanotubes*, Physical Review Letters, vol 100 no. 19 (2008) [abs]. - A. Borjesson and S. Curtarolo and A. R. Harutyunyan and K. Bolton,
*Computational study of the thermal behavior of iron clusters on a porous substrate*, Physical Review B, vol 77 no. 11 (2008) [abs]. - H. Duan and F. Ding and A. Rosen and A. Harutyunyan and T. Tokune and S. Curtarolo and K. Bolton,
*Initial growth of single-walled carbon nanotubes on supported iron clusters: a molecular dynamics study*, European Physical Journal D, vol 43 no. 1-3 (2007), pp. 185 -- 188 [abs]. - A. Q. Jiang and N. Awasthi and A. N. Kolmogorov and W. Setyawan and A. Borjesson and K. Bolton and A. R. Harutyunyan and S. Curtarolo,
*Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles*, Physical Review B, vol 75 no. 20 (2007) [abs]. - A. R. Harutyunyan and E. Mora and T. Tokune and K. Bolton and A. Rosen and A. Jiang and N. Awasthi and S. Curtarolo,
*Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth*, Applied Physics Letters, vol 90 no. 16 (2007) [abs]. - M. Calandra and A. N. Kolmogorov and S. Curtarolo,
*Search for high T-c in layered structures: The case of LiB*, Physical Review B, vol 75 no. 14 (2007) [abs]. - H. M. Duan and F. Ding and A. Rosen and A. R. Harutyunyan and S. Curtarolo and K. Bolton,
*Size dependent melting mechanisms of iron nanoclusters*, Chemical Physics, vol 333 no. 1 (2007), pp. 57 -- 62 [abs]. - W. Setyawan and R. D. Diehl and N. Ferralis and M. W. Cole and S. Curtarolo,
*Noble gas films on a decagonal AlNiCo quasicrystal*, Journal Of Physics-condensed Matter, vol 19 no. 1 (2007) [abs]. - M. Calandra, A. N. Kolmogorov, and S. Curtarolo,
*Search for high Tc in layered structures: The case of LiB*, Phys. Rev. B, vol 75 (2007), pp. 144506 [PhysRevB.75.144506]. - A. Jiang, N. Awasthi, A. N. Kolmogorov, W. Setyawan, A. Börjesson, K. Bolton, A. R. Harutyunyan, and S. Curtarolo,
*Theoretical study of thermal behavior of free and alumina-supported Fe-C nanoparticles*, Phys. Rev. B, vol 75 (2007), pp. 205426 [PhysRevB.75.205426]. - A. R. Harutyunyan, E. Mora, T. Tokune, K. Bolton, A. Rosén, A. Jiang, N. Awasthi, and S. Curtarolo,
*Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth*, Appl. Phys. Lett., vol 90 (2007), pp. 163120 [1.2730730]. - H. Duan, F. Ding, A. Harutyunyan, T. Tokune, S. Curtarolo and K. Bolton,
*H. Duan, F. Ding, A. Harutyunyan, T. Tokune, S. Curtarolo and K. Bolton*, European Journal of Physics D (2007). - H. Duan, F. Ding, A. Rosén, A. R. Harutyunyan, S. Curtarolo, and K. Bolton,
*Size dependent melting mechanisms of iron nanoclusters*, Chemical Physics, vol 333 (2007), pp. 57 [005]. - R. D. Diehl, W. Setyawan, N. Ferralis, R. A. Trasca, M. W. Cole, and S. Curtarolo,
*Ordering of rare gas films on a decagonal Al-Ni-Co quasicrystal*, Phil. Mag., vol 87 no. 2973 (2007) [14786430701370843]. - Setyawan, W. and Diehl, R.D. and Ferralis, N. and Cole, M.W. and Curtarolo, S.,
*Noble gas films on a decagonal AlNiCo quasicrystal*, Journal of Physics Condensed Matter, vol 19 no. 1 (2007), pp. 016007 - [016007] [abs]. - R. D. Diehl and W. Setyawan and N. Ferralis and R. A. Trasca and M. W. Cole and S. Curtarolo,
*Ordering of rare gas films on a decagonal Al-Ni-Co quasicrystal*, Philosophical Magazine, vol 87 no. 18-21 (2007), pp. 2973 -- 2980 [abs]. - A. N. Kolmogorov and S. Curtarolo,
*Theoretical study of metal borides stability*, Physical Review B, vol 74 no. 22 (2006) [abs]. - W. Setyawan and N. Ferralis and R. D. Diehl and M. W. Cole and S. Curtarolo,
*Xe films on a decagonal Al-Ni-Co quasicrystalline surface*, Physical Review B, vol 74 no. 12 (2006) [abs]. - A. N. Kolmogorov and S. Curtarolo,
*Prediction of different crystal structure phases in metal borides: A lithium monoboride analog to MgB2*, Physical Review B, vol 73 no. 18 (2006) [abs]. - K. Pussi and N. Ferralis and M. Mihalkovic and M. Widom and S. Curtarolo and M. Gierer and C. J. Jenks and P. Canfield and I. R. Fisher and R. D. Diehl,
*Use of periodic approximants in a dynamical LEED study of the quasicrystalline tenfold surface of decagonal Al-Ni-Co*, Physical Review B, vol 73 no. 18 (2006) [abs]. - F. Ding and A. Rosen and S. Curtarolo and K. Bolton,
*Modeling the melting of supported clusters*, Applied Physics Letters, vol 88 no. 13 (2006) [abs]. - Kolmogorov, A.N. and Curtarolo, S.,
*Theoretical study of metal borides stability*, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 74 no. 22 (2006), pp. 224507 - 1 [PhysRevB.74.224507] [abs]. - Diehl, R.D. and Ferralis, N. and Pussi, K. and Cole, M.W. and Setyawan, W. and Curtarolo, S.,
*The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co*, Philosophical Magazine, vol 86 no. 6-8 (2006), pp. 863 - 868 [14786430500227970] [abs]. - Ceder, G. and Morgan, D. and Fischer, C. and Tibbetts, K. and Curtarolo, S.,
*Data-mining-driven quantum mechanics for the prediction of structure*, MRS Bulletin, vol 31 no. 12 (2006), pp. 981 - 985 [abs]. - Ding, Feng and Rosan, Arne and Curtarolo, Stefano and Bolton, Kim,
*Modeling the melting of supported clusters*, Applied Physics Letters, vol 88 no. 13 (2006), pp. 133110 - [1.2187950] [abs]. - R. D. Diehl and N. Ferralis and K. Pussi and M. W. Cole and W. Setyawan and S. Curtarolo,
*The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co*, Philosophical Magazine, vol 86 no. 6-8 (2006), pp. 863 -- 868 [abs]. - Pussi, K. and Ferralis, N. and Mihalkovic, M. and Widom, M. and Curtarolo, S. and Gierer, M. and Jenks, C.J. and Canfield, P. and Fisher, I.R. and Diehl, R.D.,
*Use of periodic approximants in a dynamical LEED study of the quasicrystalline tenfold surface of decagonal Al-Ni-Co*, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 73 no. 18 (2006), pp. 184203 - 1 [PhysRevB.73.184203] [abs]. - Kolmogorov, A.N. and Curtarolo, S.,
*Prediction of different crystal structure phases in metal borides: a lithium monoboride analog to MgB*, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 73 no. 18 (2006), pp. 180501 - 1 [PhysRevB.73.180501] [abs]._{2} - Morgan, Dane and Ceder, Gerbrand and Curtarolo, Stefano,
*High-throughput and data mining with ab initio methods*, Measurement Science and Technology, vol 16 no. 1 (2005), pp. 296 - 301 [039] [abs]. - Curtarolo, Stefano and Setyawan, Wahyu and Ferralis, Nicola and Diehl, Renee D. and Cole, Milton W.,
*Evolution of topological order in Xe films on a quasicrystal surface*, Physical Review Letters, vol 95 no. 13 (2005), pp. 1 - 4 [PhysRevLett.95.136104] [abs]. - Curtarolo, Stefano and Morgan, Dane and Ceder, Gerbrand,
*Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys*, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol 29 no. 3 (2005), pp. 163 - 211 [002] [abs]. - Curtarolo, Stefano and Kolmogorov, Aleksey N. and Cocks, Franklin Hadley,
*High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems*, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol 29 no. 2 (2005), pp. 155 - 161 [003] [abs]. - Morgan, D. and Ceder, G. and Curtarolo, S.,
*Data mining approach to ab initio prediction of crystal structure*, Combinatorial and Artificial Intelligence Methods in Materials Science II Symposium (Mater. Res. Soc. Symposium Proceedings Vol.804) (2004), pp. 343 - 8 [abs]. - Morgan, Dane and Ceder, Gerbrand and Curtarolo, Stefano,
*Computational crystal structure prediction with high-through-put Ab initio and data mining methods*, JOM, vol 56 no. 11 (2004), pp. 70 - [abs]. - Wang, Y. and Curtarolo, S. and Jiang, C. and Arroyave, R. and Wang, T. and Ceder, G. and Chen, L.-Q. and Liu, Z.-K.,
*Ab initio lattice stability in comparison with CALPHAD lattice stability*, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol 28 no. 1 (2004), pp. 79 - 90 [002] [abs]. - Curtarolo, Stefano and Ceder, Gerbrand,
*Dynamics of an inhomogeneously coarse grained multiscale system*, Physical Review Letters, vol 88 no. 25 I (2002), pp. 255504 - 1 [PhysRevLett.88.255504] [abs]. - Curtarolo, S. and Ceder, G.,
*Dynamics and thermodynamics of a system with multiple length scales*, Modeling and Numerical Simulation of Materials Behavior and Evolution. Symposium (Materials Research Society Proceedings Vol.731) (2002), pp. 9 - 14 [abs]. - Ancilotto, F. and Curtarolo, S. and Toigo, F. and Cole, M.W.,
*Evidence concerning drying behavior of Ne near a Cs surface*, Physical Review Letters, vol 87 no. 20 (2001), pp. 206103 - 1 [PhysRevLett.87.206103] [abs]. - Capobianco, A.-D. and Midrio, M. and Someda, C.G. and Curtarolo, S.,
*Lossless tapers, Gaussian beams, free-space modes: standing waves versus through-flowing waves*, Opt. Quantum Electron. (Netherlands), vol 32 no. 10 (2000), pp. 1161 - 73 [A:1007046731793] [abs]. - Capobianco, Antonio-D. and Midrio, Michele and Someda, Carlo G. and Curtarolo, Stefano,
*Lossless tapers, Gaussian beams, free-space modes: standing waves versus through-flowing waves*, Optical and Quantum Electronics, vol 32 no. 10 (2000), pp. 1161 - 1173 [A:1007046731793] [abs]. - Curtarolo, S. and Stan, G. and Bojan, M.J. and Cole, M.W. and Steele, W.A.,
*Threshold criterion for wetting at the triple point*, Physical Review E. Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, vol 61 no. 2 (2000), pp. 1670 - [1670]. - Stan, G. and Bojan, M.J. and Curtarolo, S. and Gatica, S.M. and Cole, M.W.,
*Uptake of gases in bundles of carbon nanotubes*, Phys. Rev. B, Condens. Matter (USA), vol 62 no. 3 (2000), pp. 2173 - 80 [2173] [abs]. - Stan, G. and Gatica, S.M. and Boninsegni, M. and Curtarolo, S. and Cole, M.W.,
*Atoms in nanotubes: Small dimensions and variable dimensionality*, Am. J. Phys. (USA), vol 67 no. 12 (1999), pp. 1170 - 6 [1.19103] [abs]. - Bojan, M.J. and Stan, G. and Curtarolo, S. and Steele, W.A. and Cole, M.W.,
*Wetting transitions of Ne*, Physical Review E. Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, vol 59 no. 1-A (1999), pp. 864 - [864]. - Curtarolo, Stefano and Stan, George and Cole, Milton W. and Bojan, Mary J. and Steele, William A.,
*Computer simulations of the wetting properties of neon on heterogeneous surfaces*, Physical Review E. Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, vol 59 no. 4 (1999), pp. 4402 - [4402]. - Curtarolo, S. and Stan, G. and Cole, M.W. and Bojan, M.J. and Steele, W.A.,
*Computer simulations of the wetting properties of neon on heterogeneous surfaces*, Phys. Rev. E, Stat. Phys. Plasmas Fluids Relat. Interdiscip. Top. (USA), vol 59 no. 4 (1999), pp. 4402 - 7 [4402] [abs]. - Curtarolo, S. and Morgan, D. and Persson, K. and Rodgers, J. and Ceder, G.,
*Predicting crystal structures with data mining of quantum calculations*, Phys. Rev. Lett. (USA), vol 91 no. 13 (26), pp. 135503 - 1 [PhysRevLett.91.135503] [abs]. - Curtarolo, S. and Cole, M.W. and Diehl, R.D.,
*Wetting transition behavior of Xe on Cs and Cs/graphite*, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 70 no. 11 (15), pp. 115403 - 1 [PhysRevB.70.115403] [abs]. - Setyawan, W. and Ferralis, N. and Diehl, R.D. and Cole, M.W. and Curtarolo, S.,
*Xe films on a decagonal Al-Ni-Co quasicrystalline surface*, Phys. Rev., B, Condens, Matter Mater. Phys. (USA), vol 74 no. 12 (15), pp. 125425 - 1 [PhysRevB.74.125425] [abs].