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
2472 2001 Beyond the local-density approximation in calculations of ground-state electronic properties DC Langreth, MJ Mehl
Physical Review B 28 (4), 1809, 1983
1816 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
1741 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
1345 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
947 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
782 1996 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
548 1990 Pressure dependence of the elastic moduli in aluminum-rich Al-Li compounds MJ Mehl
Physical Review B 47 (5), 2493, 1993
524 1993 Intermetallic compounds: principle and practice MJ Mehl, BM Klein, DA Papaconstantopoulos
Principles 1, 195-210, 1995
474 * 1995 Easily implementable nonlocal exchange-correlation energy functional DC Langreth, MJ Mehl
Physical Review Letters 47 (6), 446, 1981
447 1981 Embedded-atom potential for Y Mishin, MJ Mehl, DA Papaconstantopoulos
Physical review B 65 (22), 224114, 2002
402 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
373 2005 Tight-binding total-energy method for transition and noble metals RE Cohen, MJ Mehl, DA Papaconstantopoulos
Physical Review B 50 (19), 14694, 1994
326 1994 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
322 2015 The Slater–Koster tight-binding method: a computationally efficient and accurate approach DA Papaconstantopoulos, MJ Mehl
Journal of Physics: Condensed Matter 15 (10), R413, 2003
284 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
247 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
217 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
200 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
198 1988 Potential-induced breathing model for the elastic moduli and high-pressure behavior of the cubic alkaline-earth oxides MJ Mehl, RJ Hemley, LL Boyer
Physical Review B 33 (12), 8685, 1986
198 1986 
Curtarolo, StefanoDuke Universityبريد إلكتروني تم التحقق منه على nietzsche.mems.duke.edu
