| Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations Y Mishin, MJ Mehl, DA Papaconstantopoulos, AF Voter, JD Kress Physical Review B 63 (22), 224106, 2001 | 2507 | 2001 |
| Beyond the local-density approximation in calculations of ground-state electronic properties DC Langreth, MJ Mehl Physical Review B 28 (4), 1809, 1983 | 1843 | 1983 |
| Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Y Mishin, D Farkas, MJ Mehl, DA Papaconstantopoulos Physical Review B 59 (5), 3393, 1999 | 1767 | 1999 |
| 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 | 1421 | 2012 |
| Bright triplet excitons in caesium lead halide perovskites MA Becker, R Vaxenburg, G Nedelcu, PC Sercel, A Shabaev, MJ Mehl, ... Nature 553 (7687), 189-193, 2018 | 979 | 2018 |
| Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals MJ Mehl, DA Papaconstantopoulos Physical Review B 54 (7), 4519, 1996 | 785 | 1996 |
| Pressure dependence of the elastic moduli in aluminum-rich Al-Li compounds MJ Mehl Physical Review B 47 (5), 2493, 1993 | 529 | 1993 |
| Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations MJ Mehl, JE Osburn, DA Papaconstantopoulos, BM Klein Physical Review B 41 (15), 10311, 1990 | 529 | 1990 |
| Intermetallic compounds: principle and practice MJ Mehl, BM Klein, DA Papaconstantopoulos Principles 1, 195-210, 1995 | 480* | 1995 |
| Easily implementable nonlocal exchange-correlation energy functional DC Langreth, MJ Mehl Physical Review Letters 47 (6), 446, 1981 | 458 | 1981 |
| Embedded-atom potential for Y Mishin, MJ Mehl, DA Papaconstantopoulos Physical review B 65 (22), 224114, 2002 | 411 | 2002 |
| Phase stability in the Fe–Ni system: Investigation by first-principles calculations and atomistic simulations Y Mishin, MJ Mehl, DA Papaconstantopoulos Acta materialia 53 (15), 4029-4041, 2005 | 379 | 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 | 335 | 2015 |
| Tight-binding total-energy method for transition and noble metals RE Cohen, MJ Mehl, DA Papaconstantopoulos Physical Review B 50 (19), 14694, 1994 | 325 | 1994 |
| The Slater–Koster tight-binding method: a computationally efficient and accurateapproach DA Papaconstantopoulos, MJ Mehl Journal of Physics: Condensed Matter 15 (10), R413, 2003 | 289 | 2003 |
| 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 | 260 | 2017 |
| What superconducts in sulfur hydrides under pressure and why N Bernstein, CS Hellberg, MD Johannes, II Mazin, MJ Mehl Physical Review B 91 (6), 060511, 2015 | 218 | 2015 |
| Electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe M Lach-Hab, DA Papaconstantopoulos, MJ Mehl Journal of Physics and Chemistry of Solids 63 (5), 833-841, 2002 | 206 | 2002 |
| Linearized augmented plane wave electronic structure calculations for MgO and CaO MJ Mehl, RE Cohen, H Krakauer Journal of Geophysical Research: Solid Earth 93 (B7), 8009-8022, 1988 | 202 | 1988 |
| Calculated elastic and thermal properties of MgO at high pressures and temperatures DG Isaak, RE Cohen, MJ Mehl Journal of Geophysical Research: Solid Earth 95 (B5), 7055-7067, 1990 | 199 | 1990 |
Curtarolo, StefanoDuke UniversityVerified email at nietzsche.mems.duke.edu
