Stefano Curtarolo - Publications

Affiliations: 
Duke University, Durham, NC 
Website:
http://materials.pratt.duke.edu/

118 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Oses C, Gossett E, Hicks D, Rose F, Mehl MJ, Perim E, Takeuchi I, Sanvito S, Scheffler M, Lederer Y, Levy O, Toher C, Curtarolo S. AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling. PMID 30188699 DOI: 10.1021/acs.jcim.8b00393  0.44
2018 Hicks D, Oses C, Gossett E, Gomez G, Taylor RH, Toher C, Mehl MJ, Levy O, Curtarolo S. AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals. Acta Crystallographica. Section a, Foundations and Advances. 74: 184-203. PMID 29724965 DOI: 10.1107/S2053273318003066  0.44
2017 Hever A, Oses C, Curtarolo S, Levy O, Natan A. The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry. PMID 29272112 DOI: 10.1021/acs.inorgchem.7b02462  0.32
2017 Hever A, Oses C, Curtarolo S, Levy O, Natan A. The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry. PMID 29272112 DOI: 10.1021/acs.inorgchem.7b02462  0.32
2017 Hever A, Oses C, Curtarolo S, Levy O, Natan A. The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry. PMID 29272112 DOI: 10.1021/acs.inorgchem.7b02462  0.32
2017 Sanvito S, Oses C, Xue J, Tiwari A, Zic M, Archer T, Tozman P, Venkatesan M, Coey M, Curtarolo S. Accelerated discovery of new magnets in the Heusler alloy family. Science Advances. 3: e1602241. PMID 28439545 DOI: 10.1126/sciadv.1602241  0.44
2016 Perim E, Lee D, Liu Y, Toher C, Gong P, Li Y, Simmons WN, Levy O, Vlassak JJ, Schroers J, Curtarolo S. Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases. Nature Communications. 7: 12315. PMID 27480126 DOI: 10.1038/ncomms12315  1
2016 Usanmaz D, Nath P, Plata JJ, Hart GL, Takeuchi I, Nardelli MB, Fornari M, Curtarolo S. First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides. Physical Chemistry Chemical Physics : Pccp. PMID 26811862 DOI: 10.1039/c5cp06891f  1
2016 Agapito LA, Ismail-Beigi S, Curtarolo S, Fornari M, Nardelli MB. Accurate tight-binding Hamiltonian matrices from ab initio calculations: Minimal basis sets Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.035104  1
2015 Tang Y, Gibbs ZM, Agapito LA, Li G, Kim HS, Nardelli MB, Curtarolo S, Snyder GJ. Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. Nature Materials. 14: 1223-8. PMID 26436339 DOI: 10.1038/nmat4430  1
2015 Rost CM, Sachet E, Borman T, Moballegh A, Dickey EC, Hou D, Jones JL, Curtarolo S, Maria JP. Entropy-stabilized oxides. Nature Communications. 6: 8485. PMID 26415623 DOI: 10.1038/ncomms9485  1
2015 de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. Charting the complete elastic properties of inorganic crystalline compounds. Scientific Data. 2: 150009. PMID 25984348 DOI: 10.1038/sdata.2015.9  0.96
2015 Sachet E, Shelton CT, Harris JS, Gaddy BE, Irving DL, Curtarolo S, Donovan BF, Hopkins PE, Sharma PA, Sharma AL, Ihlefeld J, Franzen S, Maria JP. Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics. Nature Materials. 14: 414-20. PMID 25686264 DOI: 10.1038/nmat4203  1
2015 Gopal P, Fornari M, Curtarolo S, Agapito LA, Liyanage LSI, Nardelli MB. Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.245202  1
2015 Mehl MJ, Finkenstadt D, Dane C, Hart GLW, Curtarolo S. Finding the stable structures of N1-xWx with an ab initio high-throughput approach Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.184110  1
2015 Isayev O, Fourches D, Muratov EN, Oses C, Rasch K, Tropsha A, Curtarolo S. Materials cartography: Representing and mining materials space using structural and electronic fingerprints Chemistry of Materials. 27: 735-743. DOI: 10.1021/cm503507h  1
2015 Calderon CE, Plata JJ, Toher C, Oses C, Levy O, Fornari M, Natan A, Mehl MJ, Hart G, Buongiorno Nardelli M, Curtarolo S. The AFLOW standard for high-throughput materials science calculations Computational Materials Science. 108: 233-238. DOI: 10.1016/j.commatsci.2015.07.019  1
2014 Martínez-Guerra E, Ortíz-Chi F, Curtarolo S, De Coss R. Pressure effects on the electronic structure and superconducting critical temperature of Li2B2 Journal of Physics Condensed Matter. 26. PMID 24589928 DOI: 10.1088/0953-8984/26/11/115701  1
2014 Petucci J, Karimi M, Huang YT, Curtarolo S, Diehl RD. Ordering and growth of rare gas films (Xe, Kr, Ar, and Ne) on the pseudo-ten-fold quasicrystalline approximant Al₁₃Co₄(100) surface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 095003. PMID 24521558 DOI: 10.1088/0953-8984/26/9/095003  1
2014 Carrete J, Li W, Mingo N, Wang S, Curtarolo S. Finding unprecedentedly low-thermal-conductivity half-heusler semiconductors via high-throughput materials modeling Physical Review X. 4. DOI: 10.1103/PhysRevX.4.011019  1
2014 Hart GLW, Curtarolo S, Massalski TB, Levy O. Comprehensive search for new phases and compounds in binary alloy systems based on platinum-group metals, using a computational first-principles approach Physical Review X. 3. DOI: 10.1103/PhysRevX.3.041035  1
2014 Toher C, Plata JJ, Levy O, De Jong M, Asta M, Nardelli MB, Curtarolo S. High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.174107  1
2014 Yong J, Jiang Y, Usanmaz D, Curtarolo S, Zhang X, Li L, Pan X, Shin J, Takeuchi I, Greene RL. Robust topological surface state in Kondo insulator SmB6 thin films Applied Physics Letters. 105. DOI: 10.1063/1.4902865  1
2014 Carrete J, Mingo N, Curtarolo S. Low thermal conductivity and triaxial phononic anisotropy of SnSe Applied Physics Letters. 105. DOI: 10.1063/1.4895770  1
2014 Hirsch A, Azuri I, Addadi L, Weiner S, Yang K, Curtarolo S, Kronik L. Infrared absorption spectrum of brushite from first principles Chemistry of Materials. 26: 2934-2942. DOI: 10.1021/cm500650t  1
2014 Taylor RH, Rose F, Toher C, Levy O, Yang K, Buongiorno Nardelli M, Curtarolo S. A RESTful API for exchanging materials data in the AFLOWLIB.org consortium Computational Materials Science. 93: 178-192. DOI: 10.1016/j.commatsci.2014.05.014  1
2014 Carrete J, Mingo N, Wang S, Curtarolo S. Nanograined half-heusler semiconductors as advanced thermoelectrics: An ab initio high-throughput statistical study Advanced Functional Materials. 24: 7427-7432. DOI: 10.1002/adfm.201401201  1
2013 Curtarolo S, Hart GL, Nardelli MB, Mingo N, Sanvito S, Levy O. The high-throughput highway to computational materials design. Nature Materials. 12: 191-201. PMID 23422720 DOI: 10.1038/nmat3568  1
2013 Gaumé RM, Lam S, Gascón M, Setyawan W, Curtarolo S, Feigelson RS. An apparatus for studying scintillator properties at high isostatic pressures. The Review of Scientific Instruments. 84: 015109. PMID 23387697 DOI: 10.1063/1.4773563  1
2013 Rao R, Pierce N, Liptak D, Hooper D, Sargent G, Semiatin SL, Curtarolo S, Harutyunyan AR, Maruyama B. Revealing the impact of catalyst phase transition on carbon nanotube growth by in situ Raman spectroscopy. Acs Nano. 7: 1100-7. PMID 23343776 DOI: 10.1021/nn304064u  1
2013 Lam S, Gascon M, Podowitz S, Curtarolo S, Feigelson RS. Nonproportionality and scintillation responses of LSO:Ce from 4.3 to 300 K Ieee Transactions On Nuclear Science. 60: 993-999. DOI: 10.1109/TNS.2012.2234136  1
2013 Agapito LA, Ferretti A, Calzolari A, Curtarolo S, Buongiorno Nardelli M. Effective and accurate representation of extended Bloch states on finite Hilbert spaces Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.165127  1
2013 Gaumé RM, Lam S, Gascón M, Setyawan W, Curtarolo S, Feigelson RS. An apparatus for studying scintillator properties at high isostatic pressures Review of Scientific Instruments. 84. DOI: 10.1063/1.4773563  1
2013 Gascón M, Lam S, Wang S, Curtarolo S, Feigelson RS. Characterization of light output and scintillation emission in CsI(Tl), NaI(Tl), and LaBr3(Ce) under isostatic pressure Radiation Measurements. 56: 70-75. DOI: 10.1016/j.radmeas.2013.04.017  1
2012 Bloch J, Levy O, Pejova B, Jacob J, Curtarolo S, Hjörvarsson B. Prediction and hydrogen acceleration of ordering in iron-vanadium alloys. Physical Review Letters. 108: 215503. PMID 23003279  0.32
2012 Yang K, Setyawan W, Wang S, Buongiorno Nardelli M, Curtarolo S. A search model for topological insulators with high-throughput robustness descriptors. Nature Materials. 11: 614-9. PMID 22581314 DOI: 10.1038/nmat3332  1
2012 Rohrer GS, Affatigato M, Backhaus M, Bordia RK, Chan HM, Curtarolo S, Demkov A, Eckstein JN, Faber KT, Garay JE, Gogotsi Y, Huang L, Jones LE, Kalinin SV, Lad RJ, et al. Challenges in ceramic science: A report from the workshop on emerging research areas in ceramic science Journal of the American Ceramic Society. 95: 3699-3712. DOI: 10.1111/jace.12033  1
2012 Lam S, Gascón M, Hawrami R, Setyawan W, Curtarolo S, Feigelson RS, Gaumé RM. Nonproportionality and scintillation studies of Eu: SrI 2 from 295 to 5 K Ieee Transactions On Nuclear Science. 59: 2052-2056. DOI: 10.1109/TNS.2012.2186317  1
2012 Bloch J, Levy O, Pejova B, Jacob J, Curtarolo S, Hjörvarsson B. Prediction and hydrogen acceleration of ordering in iron-vanadium alloys Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.215503  1
2012 Nelson LJ, Hart GLW, Curtarolo S. Ground-state characterizations of systems predicted to exhibit L1 1 or L1 3 crystal structures Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.054203  1
2012 Levy O, Xue J, Wang S, Hart GLW, Curtarolo S. Stable ordered structures of binary technetium alloys from first principles Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.012201  1
2012 Yang K, Setyawan W, Wang S, Buongiorno Nardelli M, Curtarolo S. A search model for topological insulators with high-throughput robustness descriptors Nature Materials. 11: 614-619. DOI: 10.1038/nmat3332  1
2012 Curtarolo S, Setyawan W, Hart GLW, Jahnatek M, Chepulskii RV, Taylor RH, Wang S, Xue J, Yang K, Levy O, Mehl MJ, Stokes HT, Demchenko DO, Morgan D. AFLOW: An automatic framework for high-throughput materials discovery Computational Materials Science. 58: 218-226. DOI: 10.1016/j.commatsci.2012.02.005  1
2012 Curtarolo S, Setyawan W, Wang S, Xue J, Yang K, Taylor RH, Nelson LJ, Hart GLW, Sanvito S, Buongiorno-Nardelli M, Mingo N, Levy O. AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations Computational Materials Science. 58: 227-235. DOI: 10.1016/j.commatsci.2012.02.002  1
2012 Wen WC, Chepulskii RV, Wang LW, Curtarolo S, Lai CH. Accelerating disorder-order transitions of FePt by preforming a metastable AgPt phase Acta Materialia. 60: 7258-7264. DOI: 10.1016/j.actamat.2012.09.045  1
2011 Setyawan W, Gaume RM, Lam S, Feigelson RS, Curtarolo S. High-throughput combinatorial database of electronic band structures for inorganic scintillator materials Acs Combinatorial Science. 13: 382-390. PMID 21644557 DOI: 10.1021/co200012w  1
2011 Poduska KM, Regev L, Boaretto E, Addadi L, Weiner S, Kronik L, Curtarolo S. Decoupling local disorder and optical effects in infrared spectra: differentiating between calcites with different origins. Advanced Materials (Deerfield Beach, Fla.). 23: 550-4. PMID 21254262 DOI: 10.1002/adma.201003890  1
2011 Chepulskii RV, Curtarolo S. Ab initio insights on the shapes of platinum nanocatalysts. Acs Nano. 5: 247-54. PMID 21171575 DOI: 10.1021/nn102570c  0.32
2011 Levy O, Jahnátek M, Chepulskii RV, Hart GL, Curtarolo S. Ordered structures in rhenium binary alloys from first-principles calculations. Journal of the American Chemical Society. 133: 158-63. PMID 21142072 DOI: 10.1021/ja1091672  1
2011 Wang S, Wang Z, Setyawan W, Mingo N, Curtarolo S. Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations Physical Review X. 1: 1-8. DOI: 10.1103/PhysRevX.1.021012  1
2011 Jahnátek M, Levy O, Hart GLW, Nelson LJ, Chepulskii RV, Xue J, Curtarolo S. Ordered phases in ruthenium binary alloys from high-throughput first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.214110  1
2011 Shin H, Karimi M, Setyawan W, Curtarolo S, Diehl RD. Ordering and growth of Xe films on the 10-fold quasicrystalline approximant Al13Co4(100) surface Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.115454  1
2011 Taylor RH, Curtarolo S, Hart GLW. Guiding the experimental discovery of magnesium alloys Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.084101  1
2011 Chepulskii RV, Curtarolo S. Revealing low-temperature atomic ordering in bulk Co-Pt with the high-throughput ab-initio method Applied Physics Letters. 99. DOI: 10.1063/1.3671992  1
2011 Chepulskii RV, Curtarolo S. Ab Initio insights on the shapes of platinum nanocatalysts Acs Nano. 5: 247-254. DOI: 10.1021/nn102570c  1
2011 Mehl MJ, Hart GLW, Curtarolo S. Density functional study of the L10-αIrV transition in IrV and RhV Journal of Alloys and Compounds. 509: 560-567. DOI: 10.1016/j.jallcom.2010.08.102  1
2011 Curtarolo S, Setyawan W, Diehl RD. Gas-surface interactions on quasicrystals Israel Journal of Chemistry. 51: 1304-1313. DOI: 10.1002/ijch.201100129  1
2010 Cervantes-Sodi F, McNicholas TP, Simmons JG, Liu J, Csányi G, Ferrari AC, Curtarolo S. Viscous state effect on the activity of Fe nanocatalysts. Acs Nano. 4: 6950-6. PMID 20964288 DOI: 10.1021/nn101883s  1
2010 Levy O, Hart GL, Curtarolo S. Uncovering compounds by synergy of cluster expansion and high-throughput methods. Journal of the American Chemical Society. 132: 4830-3. PMID 20218599 DOI: 10.1021/ja9105623  1
2010 Levy O, Chepulskii RV, Hart GL, Curtarolo S. The new face of rhodium alloys: revealing ordered structures from first principles. Journal of the American Chemical Society. 132: 833-7. PMID 20030385 DOI: 10.1021/ja908879y  1
2010 Levy O, Hart GLW, Curtarolo S. Structure maps for hcp metals from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.174106  1
2010 Taylor RH, Curtarolo S, Hart GLW. Ordered magnesium-lithium alloys: First-principles predictions Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.024112  1
2010 Chepulskii RV, Curtarolo S. First principles study of Ag, Au, and Cu surface segregation in FePt-L 10 Applied Physics Letters. 97. DOI: 10.1063/1.3522652  1
2010 Taylor RH, Curtarolo S, Hart GLW. Predictions of the Pt8Ti phase in unexpected systems Journal of the American Chemical Society. 132: 6851-6854. DOI: 10.1021/ja101890k  1
2010 Chepulskii RV, Butler WH, van de Walle A, Curtarolo S. Surface segregation in nanoparticles from first principles: The case of FePt Scripta Materialia. 62: 179-182. DOI: 10.1016/j.scriptamat.2009.10.019  1
2010 Setyawan W, Curtarolo S. High-throughput electronic band structure calculations: Challenges and tools Computational Materials Science. 49: 299-312. DOI: 10.1016/j.commatsci.2010.05.010  1
2010 Levy O, Hart GLW, Curtarolo S. Hafnium binary alloys from experiments and first principles Acta Materialia. 58: 2887-2897. DOI: 10.1016/j.actamat.2010.01.017  1
2009 Li HI, Pussi K, Hanna KJ, Wang LL, Johnson DD, Cheng HP, Shin H, Curtarolo S, Moritz W, Smerdon JA, McGrath R, Diehl RD. Surface geometry of C(60) on Ag(111). Physical Review Letters. 103: 056101. PMID 19792515  0.68
2009 Setyawan W, Diehl RD, Curtarolo S. Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. Physical Review Letters. 102: 055501. PMID 19257517  1
2009 Ke SH, Yang W, Curtarolo S, Baranger HU. Thermopower of molecular junctions: an ab initio study. Nano Letters. 9: 1011-4. PMID 19203208 DOI: 10.1021/nl8031229  1
2009 Bolton K, Ding F, Börjesson A, Zhu W, Duan H, Rosén A, Harutyunyan AR, Curtarolo S. Computational studies of catalytic particles for carbon nanotube growth Journal of Computational and Theoretical Nanoscience. 6: 1-15. DOI: 10.1166/jctn.2009.1001  1
2009 Setyawan W, Gaume RM, Feigelson RS, Curtarolo S. Comparative study of nonproportionality and electronic band structures features in scintillator materials Ieee Transactions On Nuclear Science. 56: 2989-2996. DOI: 10.1109/TNS.2009.2027019  1
2009 Li HI, Pussi K, Hanna KJ, Wang LL, Johnson DD, Cheng HP, Shin H, Curtarolo S, Moritz W, Smerdon JA, McGrath R, Diehl RD. Surface Geometry of C60 on Ag(111) Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.056101  1
2009 Setyawan W, Diehl RD, Curtarolo S. Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces Physical Review Letters. 102. DOI: 10.1103/PhysRevLett.102.055501  1
2009 Chepulskii RV, Curtarolo S. First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.134203  1
2009 Chepulskii RV, Curtarolo S. Calculation of solubility in titanium alloys from first principles Acta Materialia. 57: 5314-5323. DOI: 10.1016/j.actamat.2009.07.037  1
2008 Duan H, Rosén A, Harutyunyan A, Curtarolo S, Bolton K. Computational studies of small carbon and iron-carbon systems relevant to carbon nanotube growth. Journal of Nanoscience and Nanotechnology. 8: 6170-7. PMID 19198360 DOI: 10.1166/jnn.2008.SW12  1
2008 Harutyunyan AR, Awasthi N, Jiang A, Setyawan W, Mora E, Tokune T, Bolton K, Curtarolo S. Reduced carbon solubility in Fe nanoclusters and implications for the growth of single-walled carbon nanotubes. Physical Review Letters. 100: 195502. PMID 18518458  1
2008 Harutyunyan AR, Awasthi N, Jiang A, Setyawan W, Mora E, Tokune T, Bolton K, Curtarolo S. Reduced carbon solubility in Fe nanoclusters and implications for the growth of single-walled carbon nanotubes Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.195502  1
2008 Kolmogorov AN, Calandra M, Curtarolo S. Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.094520  1
2008 Curtarolo S, Awasthi N, Setyawan W, Jiang A, Bolton K, Tokune T, Harutyunyan AR. Influence of Mo on the Fe:Mo:C nanocatalyst thermodynamics for single-walled carbon nanotube growth Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.054105  1
2008 Börjesson A, Curtarolo S, Harutyunyan AR, Bolton K. Computational study of the thermal behavior of iron clusters on a porous substrate Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.115450  1
2008 Diehl RD, Setyawan W, Curtarolo S. Gas adsorption on quasicrystalline surfaces Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/31/314007  1
2007 Duan H, Ding F, Rosén A, Harutyunyan A, Tokune T, Curtarolo S, Bolton K. Initial growth of single-walled carbon nanotubes on supported iron clusters: A molecular dynamics study European Physical Journal D. 43: 185-189. DOI: 10.1140/epjd/e2007-00109-6  1
2007 Jiang A, Awasthi N, Kolmogorov AN, Setyawan W, Börjesson A, Bolton K, Harutyunyan AR, Curtarolo S. Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.205426  1
2007 Calandra M, Kolmogorov AN, Curtarolo S. Search for high Tc in layered structures: The case of LiB Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.144506  1
2007 Setyawan W, Diehl RD, Ferralis N, Cole MW, Curtarolo S. Noble gas films on a decagonal AlNiCo quasicrystal Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/1/016007  1
2007 Diehl RD, Setyawan W, Ferralis N, Trasca RA, Cole MW, Curtarolo S. Ordering of rare gas films on a decagonal Al-Ni-Co quasicrystal Philosophical Magazine. 87: 2973-2980. DOI: 10.1080/14786430701370843  1
2007 Harutyunyan AR, Mora E, Tokune T, Bolton K, Rosén A, Jiang A, Awasthi N, Curtarolo S. Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth Applied Physics Letters. 90. DOI: 10.1063/1.2730730  1
2007 Duan H, Ding F, Rosén A, Harutyunyan AR, Curtarolo S, Bolton K. Size dependent melting mechanisms of iron nanoclusters Chemical Physics. 333: 57-62. DOI: 10.1016/j.chemphys.2007.01.005  1
2006 Kolmogorov AN, Curtarolo S. Theoretical study of metal borides stability Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.224507  1
2006 Setyawan W, Ferralis N, Diehl RD, Cole MW, Curtarolo S. Xe films on a decagonal Al-Ni-Co quasicrystalline surface Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.125425  1
2006 Pussi K, Ferralis N, Mihalkovic M, Widom M, Curtarolo S, Gierer M, Jenks CJ, Canfield P, Fisher IR, Diehl RD. Use of periodic approximants in a dynamical LEED study of the quasicrystalline tenfold surface of decagonal Al-Ni-Co Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.184203  1
2006 Kolmogorov AN, Curtarolo S. Prediction of different crystal structure phases in metal borides: A lithium monoboride analog to Mg B2 Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.180501  1
2006 Diehl RD, Ferralis N, Pussi K, Cole MW, Setyawan W, Curtarolo S. The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co Philosophical Magazine. 86: 863-868. DOI: 10.1080/14786430500227970  1
2006 Ding F, Rosán A, Curtarolo S, Bolton K. Modeling the melting of supported clusters Applied Physics Letters. 88. DOI: 10.1063/1.2187950  1
2006 Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S. Data-mining-driven quantum mechanics for the prediction of structure Mrs Bulletin. 31: 981-985.  1
2005 Curtarolo S, Setyawan W, Ferralis N, Diehl RD, Cole MW. Evolution of topological order in Xe films on a quasicrystal surface. Physical Review Letters. 95: 136104. PMID 16197154  1
2005 Curtarolo S, Setyawan W, Ferralis N, Diehl RD, Cole MW. Evolution of topological order in Xe films on a quasicrystal surface Physical Review Letters. 95. DOI: 10.1103/PhysRevLett.95.136104  1
2005 Morgan D, Ceder G, Curtarolo S. High-throughput and data mining with ab initio methods Measurement Science and Technology. 16: 296-301. DOI: 10.1088/0957-0233/16/1/039  1
2005 Curtarolo S, Kolmogorov AN, Cocks FH. 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. 29: 155-161. DOI: 10.1016/j.calphad.2005.04.003  1
2005 Curtarolo S, Morgan D, Ceder G. 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. 29: 163-211. DOI: 10.1016/j.calphad.2005.01.002  1
2004 Curtarolo S, Cole MW, Diehl RD. Wetting transition behavior of Xe on Cs and Cs/graphite Physical Review B - Condensed Matter and Materials Physics. 70: 115403-1-115403-5. DOI: 10.1103/PhysRevB.70.115403  1
2004 Wang Y, Curtarolo S, Jiang C, Arroyave R, Wang T, Ceder G, Chen LQ, Liu ZK. Ab initio lattice stability in comparison with CALPHAD lattice stability Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 28: 79-90. DOI: 10.1016/j.calphad.2004.05.002  1
2003 Curtarolo S, Morgan D, Persson K, Rodgers J, Ceder G. Predicting crystal structures with data mining of quantum calculations. Physical Review Letters. 91: 135503. PMID 14525315  0.96
2003 Morgan D, Ceder G, Curtarolo S. Data mining approach to ab-initio prediction of crystal structure Materials Research Society Symposium - Proceedings. 804: 343-348.  1
2003 Curtarolo S, Morgan D, Persson K, Rodgers J, Ceder G. Predicting Crystal Structures with Data Mining of Quantum Calculations Physical Review Letters. 91: 1355031-1355034.  1
2002 Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical Review Letters. 88: 255504. PMID 12097096  0.96
2002 Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system Physical Review Letters. 88: 2555041-2555044.  1
2002 Curtarolo S, Ceder G. Dynamics and thermodynamics of a system with multiple length scales Materials Research Society Symposium - Proceedings. 731: 9-14.  1
2001 Ancilotto F, Curtarolo S, Toigo F, Cole MW. Evidence concerning drying behavior of Ne near a Cs surface. Physical Review Letters. 87: 206103. PMID 11690490  0.48
2001 Ancilotto F, Curtarolo S, Toigo F, Cole MW. Evidence concerning drying behavior of Ne near a Cs surface Physical Review Letters. 87: 206103/1-206103/4.  1
2000 Curtarolo S, Stan G, Bojan MJ, Cole MW, Steele WA. Threshold criterion for wetting at the triple point Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 61: 1670-5. PMID 11046451  1
2000 Capobianco AD, Midrio M, Someda CG, Curtarolo S. Lossless tapers, Gaussian beams, free-space modes: standing waves versus through-flowing waves Optical and Quantum Electronics. 32: 1161-1173. DOI: 10.1023/A:1007046731793  1
2000 Stan G, Bojan MJ, Curtarolo S, Gatica SM, Cole MW. Uptake of gases in bundles of carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 62: 2173-2180.  1
1999 Bojan MJ, Stan G, Curtarolo S, Steele WA, Cole MW. Wetting transitions of Ne Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 59: 864-873.  1
1999 Curtarolo S, Stan G, Cole MW, Bojan MJ, Steele WA. Computer simulations of the wetting properties of neon on heterogeneous surfaces Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 59: 4402-4407.  1
1999 Stan G, Gatica SM, Boninsegni M, Curtarolo S, Cole MW. Atoms in nanotubes: Small dimensions and variable dimensionality American Journal of Physics. 67: 1170-1176.  1
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