| High-entropy ceramics C Oses, C Toher, S Curtarolo Nature Reviews Materials 5 (4), 295-309, 2020 | 1489 | 2020 |
| 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 | 1072 | 2015 |
| 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), 4980, 2018 | 896 | 2018 |
| 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), 15679, 2017 | 664 | 2017 |
| 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 | 615 | 2019 |
| Machine learning for alloys GLW Hart, T Mueller, C Toher, S Curtarolo Nature Reviews Materials 6 (8), 730-755, 2021 | 470 | 2021 |
| 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 | 431 | 2005 |
| 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 | 332 | 2015 |
| On-the-fly closed-loop materials discovery via Bayesian active learning AG Kusne, H Yu, C Wu, H Zhang, J Hattrick-Simpers, B DeCost, S Sarker, ... Nature communications 11 (1), 5966, 2020 | 331 | 2020 |
| 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 | 304 | 2014 |
| 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 | 257 | 2017 |
| 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 | 217 | 2014 |
| Discovery of high-entropy ceramics via machine learning K Kaufmann, D Maryanovsky, WM Mellor, C Zhu, AS Rosengarten, ... Npj Computational Materials 6 (1), 42, 2020 | 210 | 2020 |
| 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 | 197 | 2018 |
| Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport C Toher, S Sanvito Physical review letters 99 (5), 056801, 2007 | 164 | 2007 |
| Roadmap on machine learning in electronic structure HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ... Electronic Structure 4 (2), 023004, 2022 | 150 | 2022 |
| Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions C Toher, S Sanvito Physical Review B—Condensed Matter and Materials Physics 77 (15), 155402, 2008 | 149 | 2008 |
| 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), 2016 | 136 | 2016 |
| 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), 12315, 2016 | 133 | 2016 |
| The AFLOW library of crystallographic prototypes: part 2 D Hicks, MJ Mehl, E Gossett, C Toher, O Levy, RM Hanson, G Hart, ... Computational Materials Science 161, S1-S1011, 2019 | 129 | 2019 |
Curtarolo, StefanoDuke UniversityVerified email at nietzsche.mems.duke.edu
