| Year |
Citation |
Score |
| 2021 |
Andersen CW, Armiento R, Blokhin E, Conduit GJ, Dwaraknath S, Evans ML, Fekete Á, Gopakumar A, Gražulis S, Merkys A, Mohamed F, Oses C, Pizzi G, Rignanese GM, Scheidgen M, ... ... Curtarolo S, et al. OPTIMADE, an API for exchanging materials data. Scientific Data. 8: 217. PMID 34385453 DOI: 10.1038/s41597-021-00974-z |
0.534 |
|
| 2020 |
Liyanage LSI, Sławińska J, Gopal P, Curtarolo S, Fornari M, Buongiorno Nardelli M. High-Throughput Computational Search for Half-Metallic Oxides. Molecules (Basel, Switzerland). 25. PMID 32344850 DOI: 10.3390/Molecules25092010 |
0.312 |
|
| 2020 |
Oses C, Toher C, Curtarolo S. High-entropy ceramics Nature Reviews Materials. 5: 295-309. DOI: 10.1038/S41578-019-0170-8 |
0.328 |
|
| 2019 |
Nath P, Usanmaz D, Hicks D, Oses C, Fornari M, Buongiorno Nardelli M, Toher C, Curtarolo S. AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.073801 |
0.329 |
|
| 2019 |
Harrington TJ, Gild J, Sarker P, Toher C, Rost CM, Dippo OF, McElfresh C, Kaufmann K, Marin E, Borowski L, Hopkins PE, Luo J, Curtarolo S, Brenner DW, Vecchio KS. Phase stability and mechanical properties of novel high entropy transition metal carbides Acta Materialia. 166: 271-280. DOI: 10.1016/J.Actamat.2018.12.054 |
0.342 |
|
| 2018 |
Sarker P, Harrington T, Toher C, Oses C, Samiee M, Maria JP, Brenner DW, Vecchio KS, Curtarolo S. High-entropy high-hardness metal carbides discovered by entropy descriptors. Nature Communications. 9: 4980. PMID 30478375 DOI: 10.1038/S41467-018-07160-7 |
0.353 |
|
| 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 |
0.338 |
|
| 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 |
0.311 |
|
| 2018 |
Ouyang R, Curtarolo S, Ahmetcik E, Scheffler M, Ghiringhelli LM. SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.083802 |
0.342 |
|
| 2018 |
Stanev V, Oses C, Kusne AG, Rodriguez E, Paglione J, Curtarolo S, Takeuchi I. Machine learning modeling of superconducting critical temperature Arxiv: Superconductivity. 4: 1-14. DOI: 10.1038/S41524-018-0085-8 |
0.325 |
|
| 2018 |
Usanmaz D, Nath P, Toher C, Plata JJ, Friedrich R, Fornari M, Buongiorno Nardelli M, Curtarolo S. Spinodal Superlattices of Topological Insulators Chemistry of Materials. 30: 2331-2340. DOI: 10.1021/Acs.Chemmater.7B05299 |
0.301 |
|
| 2018 |
Buongiorno Nardelli M, Cerasoli FT, Costa M, Curtarolo S, De Gennaro R, Fornari M, Liyanage L, Supka AR, Wang H. PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials Computational Materials Science. 143: 462-472. DOI: 10.1016/J.Commatsci.2017.11.034 |
0.314 |
|
| 2018 |
Lederer Y, Toher C, Vecchio KS, Curtarolo S. The search for high entropy alloys: A high-throughput ab-initio approach Acta Materialia. 159: 364-383. DOI: 10.1016/J.Actamat.2018.07.042 |
0.329 |
|
| 2017 |
Gopal P, De Gennaro R, Silva Dos Santos Guzmao M, Al Rahal Al Orabi R, Wang H, Curtarolo S, Fornari M, Buongiorno Nardelli M. Improved electronic structure and magnetic exchange interactions in transition metal oxides. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28809161 DOI: 10.1088/1361-648X/Aa8643 |
0.318 |
|
| 2017 |
Isayev O, Oses C, Toher C, Gossett E, Curtarolo S, Tropsha A. Universal fragment descriptors for predicting properties of inorganic crystals. Nature Communications. 8: 15679. PMID 28580961 DOI: 10.1038/Ncomms15679 |
0.344 |
|
| 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 |
0.484 |
|
| 2017 |
Toher C, Oses C, Plata JJ, Hicks D, Rose F, Levy O, de Jong M, Asta M, Fornari M, Buongiorno Nardelli M, Curtarolo S. Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.015401 |
0.336 |
|
| 2017 |
Legrain F, Carrete J, van Roekeghem A, Curtarolo S, Mingo N. How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids Chemistry of Materials. 29: 6220-6227. DOI: 10.1021/Acs.Chemmater.7B00789 |
0.334 |
|
| 2017 |
Nath P, Plata JJ, Usanmaz D, Toher C, Fornari M, Buongiorno Nardelli M, Curtarolo S. High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity Scripta Materialia. 129: 88-93. DOI: 10.1016/J.Scriptamat.2016.09.034 |
0.312 |
|
| 2017 |
Barzilai S, Toher C, Curtarolo S, Levy O. The effect of lattice stability determination on the computational phase diagrams of intermetallic alloys Journal of Alloys and Compounds. 728: 314-321. DOI: 10.1016/J.Jallcom.2017.08.263 |
0.312 |
|
| 2017 |
Supka AR, Lyons TE, Liyanage L, D’Amico P, Al Rahal Al Orabi R, Mahatara S, Gopal P, Toher C, Ceresoli D, Calzolari A, Curtarolo S, Nardelli MB, Fornari M. AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians Computational Materials Science. 136: 76-84. DOI: 10.1016/J.Commatsci.2017.03.055 |
0.315 |
|
| 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 |
0.331 |
|
| 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 |
0.354 |
|
| 2016 |
D'Amico P, Agapito L, Catellani A, Ruini A, Curtarolo S, Fornari M, Nardelli MB, Calzolari A. Accurateab initiotight-binding Hamiltonians: Effective tools for electronic transport and optical spectroscopy from first principles Physical Review B. 94. DOI: 10.1103/Physrevb.94.165166 |
0.302 |
|
| 2016 |
Agapito LA, Fornari M, Ceresoli D, Ferretti A, Curtarolo S, Nardelli MB. Accurate tight-binding Hamiltonians for two-dimensional and layered materials Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125137 |
0.321 |
|
| 2016 |
Yang K, Oses C, Curtarolo S. Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach Chemistry of Materials. 28: 6484-6492. DOI: 10.1021/Acs.Chemmater.6B01449 |
0.303 |
|
| 2016 |
Nath P, Plata JJ, Usanmaz D, Al Rahal Al Orabi R, Fornari M, Nardelli MB, Toher C, Curtarolo S. High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation Computational Materials Science. 125: 82-91. DOI: 10.1016/J.Commatsci.2016.07.043 |
0.341 |
|
| 2016 |
Barzilai S, Toher C, Curtarolo S, Levy O. Evaluation of the tantalum-titanium phase diagram from ab-initio calculations Acta Materialia. 120: 255-263. DOI: 10.1016/J.Actamat.2016.08.053 |
0.319 |
|
| 2016 |
Pandey SJ, Joshi G, Wang S, Curtarolo S, Gaume RM. Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics Journal of Electronic Materials. 45: 5526-5532. DOI: 10.1007/S11664-016-4762-4 |
0.301 |
|
| 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 |
0.478 |
|
| 2015 |
Agapito LA, Curtarolo S, Buongiorno Nardelli M. Reformulation ofDFT+Uas a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery Physical Review X. 5. DOI: 10.1103/Physrevx.5.011006 |
0.3 |
|
| 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 |
0.378 |
|
| 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 |
0.333 |
|
| 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 |
0.311 |
|
| 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 |
0.34 |
|
| 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 |
0.332 |
|
| 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 |
0.309 |
|
| 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 |
0.332 |
|
| 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 |
0.31 |
|
| 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 |
0.307 |
|
| 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 |
0.616 |
|
| 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 |
0.304 |
|
| 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 |
0.578 |
|
| 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 DOI: 10.1103/Physrevlett.108.215503 |
0.319 |
|
| 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 |
0.654 |
|
| 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 |
0.616 |
|
| 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 |
0.529 |
|
| 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 |
0.587 |
|
| 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 |
0.756 |
|
| 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 |
0.726 |
|
| 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 |
0.305 |
|
| 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 |
0.662 |
|
| 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 |
0.353 |
|
| 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 |
0.662 |
|
| 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 |
0.51 |
|
| 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 |
0.642 |
|
| 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 |
0.342 |
|
| 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 |
0.327 |
|
| 2011 |
Curtarolo S, Setyawan W, Diehl RD. Gas-surface interactions on quasicrystals Israel Journal of Chemistry. 51: 1304-1313. DOI: 10.1002/Ijch.201100129 |
0.644 |
|
| 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 |
0.304 |
|
| 2010 |
Taylor RH, Curtarolo S, Hart GL. Predictions of the Pt(8)Ti phase in unexpected systems. Journal of the American Chemical Society. 132: 6851-4. PMID 20420383 DOI: 10.1021/Ja101890K |
0.306 |
|
| 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 |
0.339 |
|
| 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 |
0.356 |
|
| 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 |
0.332 |
|
| 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 |
0.365 |
|
| 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 |
0.6 |
|
| 2010 |
Curtarolo S, Awasthi N, Setyawan W, Li N, Jiang A, Tan TY, Mora E, Bolton K, Harutyunyan AR. Thermodynamics of carbon in iron nanoparticles at low temperature: Reduced solubility and size-induced nucleation of cementite Physics Procedia. 6: 16-26. DOI: 10.1016/J.Phpro.2010.09.023 |
0.736 |
|
| 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 |
0.641 |
|
| 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 |
0.323 |
|
| 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 DOI: 10.1103/Physrevlett.103.056101 |
0.31 |
|
| 2009 |
Setyawan W, Diehl RD, Curtarolo S. Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces. Physical Review Letters. 102: 055501. PMID 19257517 DOI: 10.1103/Physrevlett.102.055501 |
0.694 |
|
| 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 |
0.303 |
|
| 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 |
0.647 |
|
| 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 |
0.629 |
|
| 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 |
0.301 |
|
| 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 |
0.321 |
|
| 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 |
0.36 |
|
| 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 DOI: 10.1103/Physrevlett.100.195502 |
0.733 |
|
| 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 |
0.705 |
|
| 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 |
0.303 |
|
| 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 |
0.723 |
|
| 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 |
0.678 |
|
| 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 |
0.725 |
|
| 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 |
0.739 |
|
| 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 |
0.776 |
|
| 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 |
0.596 |
|
| 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. DOI: 10.1557/Mrs2006.224 |
0.612 |
|
| 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 |
0.307 |
|
| 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 |
0.737 |
|
| 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 |
0.356 |
|
| 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 |
0.344 |
|
| 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 |
0.734 |
|
| 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 DOI: 10.1103/Physrevlett.95.136104 |
0.743 |
|
| 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 |
0.686 |
|
| 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 |
0.648 |
|
| 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 |
0.334 |
|
| 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 |
0.639 |
|
| 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 |
0.493 |
|
| 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 |
0.513 |
|
| 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 DOI: 10.1103/Physrevlett.91.135503 |
0.626 |
|
| 2003 |
Morgan D, Ceder G, Curtarolo S. Data Mining Approach to Ab-Initio Prediction of Crystal Structure Mrs Proceedings. 804. DOI: 10.1557/Proc-804-Jj9.25 |
0.637 |
|
| 2002 |
Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical Review Letters. 88: 255504. PMID 12097096 DOI: 10.1103/Physrevlett.88.255504 |
0.467 |
|
| 2002 |
Curtarolo S, Ceder G. Dynamics and Thermodynamics of a system with multiple length scales Mrs Proceedings. 731. DOI: 10.1557/Proc-731-W4.4 |
0.413 |
|
| 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 DOI: 10.1103/Physrevlett.87.206103 |
0.552 |
|
| 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 DOI: 10.1103/Physreve.61.1670 |
0.689 |
|
| 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. DOI: 10.1103/Physrevb.62.2173 |
0.76 |
|
| 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. DOI: 10.1119/1.19103 |
0.748 |
|
| 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. DOI: 10.1103/Physreve.59.864 |
0.679 |
|
| 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. DOI: 10.1103/Physreve.59.4402 |
0.684 |
|
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