| The high-throughput highway to computational materials design S Curtarolo, GLW Hart, MB Nardelli, N Mingo, S Sanvito, O Levy Nature materials 12 (3), 191-201, 2013 | 1253 | 2013 |
| High-throughput electronic band structure calculations: Challenges and tools W Setyawan, S Curtarolo Computational materials science 49 (2), 299-312, 2010 | 940 | 2010 |
| AFLOWLIB. ORG: A distributed materials properties repository from high-throughput ab initio calculations S Curtarolo, W Setyawan, S Wang, J Xue, K Yang, RH Taylor, LJ Nelson, ... Computational Materials Science 58, 227-235, 2012 | 615 | 2012 |
| AFLOW: An automatic framework for high-throughput materials discovery S Curtarolo, W Setyawan, GLW Hart, M Jahnatek, RV Chepulskii, ... Computational Materials Science 58, 218-226, 2012 | 542 | 2012 |
| Entropy-stabilized oxides CM Rost, E Sachet, T Borman, A Moballegh, EC Dickey, D Hou, JL Jones, ... Nature communications 6 (1), 1-8, 2015 | 492 | 2015 |
| Charting the complete elastic properties of inorganic crystalline compounds M De Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ... Scientific data 2 (1), 1-13, 2015 | 420 | 2015 |
| All The Catalytic Active Sites of MoS2 for Hydrogen Evolution G Li, D Zhang, Q Qiao, Y Yu, D Peterson, A Zafar, R Kumar, S Curtarolo, ... Journal of the American Chemical Society 138 (51), 16632-16638, 2016 | 398 | 2016 |
| Predicting crystal structures with data mining of quantum calculations S Curtarolo, D Morgan, K Persson, J Rodgers, G Ceder Physical review letters 91 (13), 135503, 2003 | 387 | 2003 |
| Ab initio lattice stability in comparison with CALPHAD lattice stability Y Wang, S Curtarolo, C Jiang, R Arroyave, T Wang, G Ceder, LQ Chen, ... Calphad 28 (1), 79-90, 2004 | 382 | 2004 |
| Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites Y Tang, ZM Gibbs, LA Agapito, G Li, HS Kim, MB Nardelli, S Curtarolo, ... Nature materials 14 (12), 1223-1228, 2015 | 363 | 2015 |
| Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys S Curtarolo, D Morgan, G Ceder Calphad 29 (3), 163-211, 2005 | 340 | 2005 |
| Finding unprecedentedly low-thermal-conductivity half-Heusler semiconductors via high-throughput materials modeling J Carrete, W Li, N Mingo, S Wang, S Curtarolo Physical Review X 4 (1), 011019, 2014 | 331 | 2014 |
| Uptake of gases in bundles of carbon nanotubes G Stan, MJ Bojan, S Curtarolo, SM Gatica, MW Cole Physical Review B 62 (3), 2173, 2000 | 295 | 2000 |
| A search model for topological insulators with high-throughput robustness descriptors K Yang, W Setyawan, S Wang, MB Nardelli, S Curtarolo Nature materials 11 (7), 614-619, 2012 | 270 | 2012 |
| Universal fragment descriptors for predicting properties of inorganic crystals O Isayev, C Oses, C Toher, E Gossett, S Curtarolo, A Tropsha Nature communications 8 (1), 1-12, 2017 | 264 | 2017 |
| Low thermal conductivity and triaxial phononic anisotropy of SnSe J Carrete, N Mingo, S Curtarolo Applied Physics Letters 105 (10), 101907, 2014 | 205 | 2014 |
| Materials cartography: representing and mining materials space using structural and electronic fingerprints O Isayev, D Fourches, EN Muratov, C Oses, K Rasch, A Tropsha, ... Chemistry of Materials 27 (3), 735-743, 2015 | 183 | 2015 |
| High-throughput combinatorial database of electronic band structures for inorganic scintillator materials W Setyawan, RM Gaume, S Lam, RS Feigelson, S Curtarolo ACS combinatorial science 13 (4), 382-390, 2011 | 178 | 2011 |
| Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics E Sachet, CT Shelton, JS Harris, BE Gaddy, DL Irving, S Curtarolo, ... Nature materials 14 (4), 414-420, 2015 | 173 | 2015 |
| Assessing the thermoelectric properties of sintered compounds via high-throughput ab-initio calculations S Wang, Z Wang, W Setyawan, N Mingo, S Curtarolo Physical Review X 1 (2), 021012, 2011 | 173 | 2011 |
Marco Buongiorno NardelliUniversity Distinguished Research Professor of Physics, Chemistry and Composition, UNTVerified email at unt.edu
