| 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 | 413 | 2015 |
| Self-interaction errors in density-functional calculations of electronic transport C Toher, A Filippetti, S Sanvito, K Burke Physical Review Letters 95 (14), 146402, 2005 | 397 | 2005 |
| 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 | 263 | 2017 |
| High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model C Toher, JJ Plata, O Levy, M De Jong, M Asta, MB Nardelli, S Curtarolo Physical Review B 90 (17), 174107, 2014 | 161 | 2014 |
| Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport C Toher, S Sanvito Physical review letters 99 (5), 056801, 2007 | 156 | 2007 |
| High-entropy high-hardness metal carbides discovered by entropy descriptors P Sarker, T Harrington, C Toher, C Oses, M Samiee, JP Maria, ... Nature communications 9 (1), 1-10, 2018 | 151 | 2018 |
| Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions C Toher, S Sanvito Physical Review B 77 (15), 155402, 2008 | 134 | 2008 |
| The AFLOW standard for high-throughput materials science calculations CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ... Computational Materials Science 108, 233-238, 2015 | 131 | 2015 |
| A RESTful API for exchanging materials data in the AFLOWLIB. org consortium RH Taylor, F Rose, C Toher, O Levy, K Yang, MB Nardelli, S Curtarolo Computational Materials Science 93, 178-192, 2014 | 127 | 2014 |
| Phase stability and mechanical properties of novel high entropy transition metal carbides TJ Harrington, J Gild, P Sarker, C Toher, CM Rost, OF Dippo, C McElfresh, ... Acta Materialia 166, 271-280, 2019 | 120 | 2019 |
| The AFLOW library of crystallographic prototypes: part 1 MJ Mehl, D Hicks, C Toher, O Levy, RM Hanson, G Hart, S Curtarolo Computational Materials Science 136, S1-S828, 2017 | 80 | 2017 |
| Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases E Perim, D Lee, Y Liu, C Toher, P Gong, Y Li, WN Simmons, O Levy, ... Nature communications 7 (1), 1-9, 2016 | 79 | 2016 |
| High-entropy ceramics C Oses, C Toher, S Curtarolo Nature Reviews Materials, 1-15, 2020 | 75 | 2020 |
| Coverage-driven electronic decoupling of Fe-phthalocyanine from a Ag (111) substrate TG Gopakumar, T Brumme, J Kroger, C Toher, G Cuniberti, R Berndt The Journal of Physical Chemistry C 115 (24), 12173-12179, 2011 | 68 | 2011 |
| Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations Z Rak, CM Rost, M Lim, P Sarker, C Toher, S Curtarolo, JP Maria, ... Journal of Applied Physics 120 (9), 095105, 2016 | 58 | 2016 |
| AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ... Computational Materials Science 136, 76-84, 2017 | 48 | 2017 |
| The search for high entropy alloys: a high-throughput ab-initio approach Y Lederer, C Toher, KS Vecchio, S Curtarolo Acta Materialia 159, 364-383, 2018 | 46 | 2018 |
| Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids C Toher, C Oses, JJ Plata, D Hicks, F Rose, O Levy, M de Jong, M Asta, ... Physical Review Materials 1 (1), 015401, 2017 | 44 | 2017 |
| Electrical transport through a mechanically gated molecular wire C Toher, R Temirov, A Greuling, F Pump, M Kaczmarski, G Cuniberti, ... Physical Review B 83 (15), 155402, 2011 | 43 | 2011 |
| Crystallization behavior upon heating and cooling in Cu50Zr50 metallic glass thin films D Lee, B Zhao, E Perim, H Zhang, P Gong, Y Gao, Y Liu, C Toher, ... Acta Materialia 121, 68-77, 2016 | 39 | 2016 |
Curtarolo, StefanoDuke UniversityVerified email at nietzsche.mems.duke.edu
