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51

Prediction and Hydrogen Acceleration of Ordering in Iron-Vanadium Alloys

Bloch, J., Levy, O., Pejova, B., Jacob, J., Curtarolo, S., Hjörvarsson, B.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 537 KB

english, 2012

52

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

Setyawan, Wahyu, Gaume, Romain M., Lam, Stephanie, Feigelson, Robert S., Curtarolo, Stefano

Journal:

ACS Combinatorial Science

Year:

2011

Language:

english

File:

PDF, 2.25 MB

english, 2011

53

Revealing low-temperature atomic ordering in bulk Co-Pt with the high-throughput ab-initio method

Chepulskii, Roman V., Curtarolo, Stefano

Journal:

Applied Physics Letters

Year:

2011

Language:

english

File:

PDF, 584 KB

english, 2011

54

Nonproportionality and Scintillation Responses of LSO:Ce From 4.3 to 300 K

Lam, Stephanie, Gascon, Martin, Podowitz, Stephen, Curtarolo, Stefano, Feigelson, Robert S.

Journal:

IEEE Transactions on Nuclear Science

Year:

2013

Language:

english

File:

PDF, 904 KB

english, 2013

55

Structure maps for hcp metals from first-principles calculations

Levy, Ohad, Hart, Gus L. W., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 260 KB

english, 2010

56

Characterization of light output and scintillation emission in CsI(Tl), NaI(Tl), and LaBr3(Ce) under isostatic pressure

Gascón, Martín, Lam, Stephanie, Wang, Shidong, Curtarolo, Stefano, Feigelson, Robert S.

Journal:

Radiation Measurements

Year:

2013

Language:

english

File:

PDF, 1010 KB

english, 2013

57

Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors

Kolmogorov, Aleksey N., Calandra, Matteo, Curtarolo, Stefano

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 823 KB

english, 2008

58

Reduced Carbon Solubility in Fe Nanoclusters and Implications for the Growth of Single-Walled Carbon Nanotubes

Harutyunyan, A. R., Awasthi, N., Jiang, A., Setyawan, W., Mora, E., Tokune, T., Bolton, K., Curtarolo, S.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 517 KB

english, 2008

59

Influence of Mo on the Fe:Mo:C nanocatalyst thermodynamics for single-walled carbon nanotube growth

Curtarolo, Stefano, Awasthi, Neha, Setyawan, Wahyu, Jiang, Aiqin, Bolton, Kim, Tokune, Toshio, Harutyunyan, Avetik R.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 534 KB

english, 2008

60

in layered structures: The case of LiB

Calandra, Matteo, Kolmogorov, Aleksey N., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 424 KB

english, 2007

61

First principles study of Ag, Au, and Cu surface segregation in FePt-L1[sub 0]

Chepulskii, Roman V., Curtarolo, Stefano

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 442 KB

english, 2010

62

Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth

Harutyunyan, Avetik R., Mora, Elena, Tokune, Toshio, Bolton, Kim, Rosén, Arne, Jiang, Aiqin, Awasthi, Neha, Curtarolo, Stefano

Journal:

Applied Physics Letters

Year:

2007

Language:

english

File:

PDF, 1018 KB

english, 2007

63

Infrared Absorption Spectrum of Brushite from First Principles

Hirsch, Anna, Azuri, Ido, Addadi, Lia, Weiner, Stephen, Yang, Kesong, Curtarolo, Stefano, Kronik, Leeor

Journal:

Chemistry of Materials

Year:

2014

Language:

english

File:

PDF, 2.13 MB

english, 2014

64

High-throughput and data mining with ab initio methods

Morgan, Dane, Ceder, Gerbrand, Curtarolo, Stefano

Journal:

Measurement Science and Technology

Year:

2005

Language:

english

File:

PDF, 168 KB

english, 2005

65

Ab Initio Insights on the Shapes of Platinum Nanocatalysts

Chepulskii, Roman V., Curtarolo, Stefano

Journal:

Year:

2011

Language:

english

File:

PDF, 2.68 MB

english, 2011

66

Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods

Levy, Ohad, Hart, Gus L. W., Curtarolo, Stefano

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

67

Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations

Levy, Ohad, Jahnátek, Michal, Chepulskii, Roman V., Hart, Gus L. W., Curtarolo, Stefano

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.15 MB

english, 2011

68

Revealing the Impact of Catalyst Phase Transition on Carbon Nanotube Growth by in Situ Raman Spectroscopy

Rao, Rahul, Pierce, Neal, Liptak, David, Hooper, Daylond, Sargent, Gordon, Semiatin, S. Lee, Curtarolo, Stefano, Harutyunyan, Avetik R., Maruyama, Benji

Journal:

Year:

2013

Language:

english

File:

PDF, 2.56 MB

english, 2013

69

Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study

Carrete, Jesús, Mingo, Natalio, Wang, Shidong, Curtarolo, Stefano

Journal:

Advanced Functional Materials

Year:

2014

Language:

english

File:

PDF, 935 KB

english, 2014

70

Viscous State Effect on the Activity of Fe Nanocatalysts

Cervantes-Sodi, Felipe, McNicholas, Thomas P., Simmons, Jay G., Liu, Jie, Csányi, Gabor, Ferrari, Andrea C., Curtarolo, Stefano

Journal:

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

71

Predictions of the Pt 8 Ti Phase in Unexpected Systems

Taylor, Richard H., Curtarolo, Stefano, Hart, Gus L. W.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 357 KB

english, 2010

72

Ordering of rare gas films on a decagonal Al–Ni–Co quasicrystal

Diehl, R. D., Setyawan, W., Ferralis, N., Trasca, R. A., Cole, M. W., Curtarolo, S.

Journal:

Philosophical Magazine

Year:

2007

Language:

english

File:

PDF, 316 KB

english, 2007

73

Low thermal conductivity and triaxial phononic anisotropy of SnSe

Carrete, Jesús, Mingo, Natalio, Curtarolo, Stefano

Journal:

Applied Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

74

Ordered magnesium-lithium alloys: First-principles predictions

Taylor, Richard H., Curtarolo, Stefano, Hart, Gus L. W.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 732 KB

english, 2010

75

Evidence Concerning Drying Behavior of Ne near a Cs Surface

Ancilotto, Francesco, Curtarolo, Stefano, Toigo, Flavio, Cole, Milton W.

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 148 KB

english, 2001

76

Wetting transitions of Ne

Bojan, M. J., Stan, G., Curtarolo, S., Steele, W. A., Cole, M. W.

Journal:

Physical Review E

Year:

1999

Language:

english

File:

PDF, 207 KB

english, 1999

77

First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys

Chepulskii, Roman V., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 661 KB

english, 2009

78

Evolution of Topological Order in Xe Films on a Quasicrystal Surface

Curtarolo, Stefano, Setyawan, Wahyu, Ferralis, Nicola, Diehl, Renee D., Cole, Milton W.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 825 KB

english, 2005

79

on Ag(111)

Li, H. I., Pussi, K., Hanna, K. J., Wang, L.-L., Johnson, D. D., Cheng, H.-P., Shin, H., Curtarolo, S., Moritz, W., Smerdon, J. A., McGrath, R., Diehl, R. D.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 443 KB

english, 2009

80

Theoretical study of metal borides stability

Kolmogorov, Aleksey N., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 2.08 MB

english, 2006

81

Use of periodic approximants in a dynamical LEED study of the quasicrystalline tenfold surface of decagonal Al-Ni-Co

Pussi, K., Ferralis, N., Mihalkovic, M., Widom, M., Curtarolo, S., Gierer, M., Jenks, C. J., Canfield, P., Fisher, I. R., Diehl, R. D.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 1.55 MB

english, 2006

82

An apparatus for studying scintillator properties at high isostatic pressures

Gaumé, R. M., Lam, S., Gascón, M., Setyawan, W., Curtarolo, S., Feigelson, R. S.

Journal:

Review of Scientific Instruments

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

83

Computational study of the thermal behavior of iron clusters on a porous substrate

Börjesson, Anders, Curtarolo, Stefano, Harutyunyan, Avetik R., Bolton, Kim

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

84

Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals, Using a Computational First-Principles Approach

Hart, Gus L. W., Curtarolo, Stefano, Massalski, Thaddeus B., Levy, Ohad

Journal:

Physical Review X

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

85

Comparative Study of Nonproportionality and Electronic Band Structures Features in Scintillator Materials

Setyawan, Wahyu, Gaume, Romain M., Feigelson, Robert S., Curtarolo, Stefano

Journal:

IEEE Transactions on Nuclear Science

Year:

2009

Language:

english

File:

PDF, 517 KB

english, 2009

86

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Taylor, Richard H., Rose, Frisco, Toher, Cormac, Levy, Ohad, Yang, Kesong, Buongiorno Nardelli, Marco, Curtarolo, Stefano

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 2.16 MB

english, 2014

87

and

Curtarolo, Stefano, Cole, Milton W., Diehl, Renee D.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 61 KB

english, 2004

88

Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

Carrete, Jesús, Li, Wu, Mingo, Natalio, Wang, Shidong, Curtarolo, Stefano

Journal:

Physical Review X

Year:

2014

Language:

english

File:

PDF, 717 KB

english, 2014

89

Xe films on a decagonal Al-Ni-Co quasicrystalline surface

Setyawan, Wahyu, Ferralis, Nicola, Diehl, Renee D., Cole, Milton W., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 416 KB

english, 2006

90

Guiding the experimental discovery of magnesium alloys

Taylor, Richard H., Curtarolo, Stefano, Hart, Gus L. W.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 787 KB

english, 2011

91

Structures and Topological Transitions of Hydrocarbon Films on Quasicrystalline Surfaces

Setyawan, Wahyu, Diehl, Renee D., Curtarolo, Stefano

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 1002 KB

english, 2009

92

crystal structures

Nelson, Lance J., Hart, Gus L. W., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.00 MB

english, 2012

93

(100) surface

Shin, Heekeun, Karimi, M., Setyawan, W., Curtarolo, S., Diehl, R. D.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

94

Nonproportionality and Scintillation Studies of ${\hbox{Eu:}} {\hbox{SrI}}_{\rm 2}$ From 295 to 5 K

Lam, S., Gascon, M., Hawrami, R., Setyawan, W., Curtarolo, S., Feigelson, R. S., Gaume, R. M.

Journal:

IEEE Transactions on Nuclear Science

Year:

2012

Language:

english

File:

PDF, 550 KB

english, 2012

95

Computer simulations of the wetting properties of neon on heterogeneous surfaces

Curtarolo, Stefano, Stan, George, Cole, Milton W., Bojan, Mary J., Steele, William A.

Journal:

Physical Review E

Year:

1999

Language:

english

File:

PDF, 378 KB

english, 1999

96

Prediction of different crystal structure phases in metal borides: A lithium monoboride analog to

Kolmogorov, Aleksey N., Curtarolo, Stefano

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 349 KB

english, 2006

97

Threshold criterion for wetting at the triple point

Curtarolo, S., Stan, G., Bojan, M. J., Cole, M. W., Steele, W. A.

Journal:

Physical Review E

Year:

2000

Language:

english

File:

PDF, 80 KB

english, 2000

98

Ordering and growth of rare gas films (Xe, Kr, Ar, and Ne) on the pseudo-ten-fold quasicrystalline approximant Al 13 Co 4 (100) surface

Petucci, J, Karimi, M, Huang, Y-T, Curtarolo, S, Diehl, R D

Journal:

Journal of Physics Condensed Matter

Year:

2014

Language:

english

File:

PDF, 2.25 MB

english, 2014

99

Robust topological surface state in Kondo insulator SmB6 thin films

Yong, Jie, Jiang, Yeping, Usanmaz, Demet, Curtarolo, Stefano, Zhang, Xiaohang, Li, Linze, Pan, Xiaoqing, Shin, Jongmoon, Takeuchi, Ichiro, Greene, Richard L.

Journal:

Applied Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

100

as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Agapito, Luis A., Curtarolo, Stefano, Buongiorno Nardelli, Marco

Journal:

Physical Review X

Year:

2015

Language:

english

File:

PDF, 667 KB

english, 2015