| Density-functional calculations of the structures, binding energies, and magnetic moments of Fe clusters with 2 to 17 atoms O Diéguez, MMG Alemany, C Rey, P Ordejón, LJ Gallego Physical Review B 63 (20), 205407, 2001 | 221 | 2001 |
| Molecular-dynamics study of the binding energy and melting of transition-metal clusters C Rey, LJ Gallego, J Garcia-Rodeja, JA Alonso, MP Iniguez Physical Review B 48 (11), 8253, 1993 | 157 | 1993 |
| Determination of the glass-forming concentration range in binary alloys from a semiempirical theory: Application to Zr-based alloys JM López, JA Alonso, LJ Gallego Physical Review B 36 (7), 3716, 1987 | 151 | 1987 |
| Physically founded phonon dispersions of few-layer materials and the case of borophene J Carrete, W Li, L Lindsay, DA Broido, LJ Gallego, N Mingo Materials Research Letters 4 (4), 204-211, 2016 | 142 | 2016 |
| Glass formation in ternary transition metal alloys LJ Gallego, JA Somoza, JA Alonso Journal of Physics: Condensed Matter 2 (29), 6245, 1990 | 119 | 1990 |
| Self-consistent density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-Al clusters M Calleja, C Rey, MMG Alemany, LJ Gallego, P Ordejón, ... Physical Review B 60 (3), 2020, 1999 | 110 | 1999 |
| Molecular dynamics simulation of the structure and dynamics of water–1-alkyl-3-methylimidazolium ionic liquid mixtures T Mendez-Morales, J Carrete, O Cabeza, LJ Gallego, LM Varela The Journal of Physical Chemistry B 115 (21), 6995-7008, 2011 | 106 | 2011 |
| Molecular-dynamics study of the structures, binding energies, and melting of clusters of fcc transition and noble metals using the voter and chen version of the embedded-atom model J Garcia-Rodeja, C Rey, LJ Gallego, JA Alonso Physical Review B 49 (12), 8495, 1994 | 96 | 1994 |
| Construction of free-energy diagrams of amorphous alloys JA Alonso, LJ Gallego, JA Somoza Il Nuovo Cimento D 12 (4), 587-595, 1990 | 93 | 1990 |
| Surface roughness and thermal conductivity of semiconductor nanowires: Going below the Casimir limit J Carrete, LJ Gallego, LM Varela, N Mingo Physical Review B 84 (7), 075403, 2011 | 89 | 2011 |
| Structures of 13-atom clusters of fcc transition metals by ab initio and semiempirical calculations RC Longo, LJ Gallego Physical Review B 74 (19), 193409, 2006 | 75 | 2006 |
| Solvation of lithium salts in protic ionic liquids: a molecular dynamics study T Mendez-Morales, J Carrete, O Cabeza, O Russina, A Triolo, LJ Gallego, ... The Journal of Physical Chemistry B 118 (3), 761-770, 2014 | 71 | 2014 |
| Computer simulation study of the dynamic properties of liquid Ni using the embedded-atom model MMG Alemany, C Rey, LJ Gallego Physical Review B 58 (2), 685, 1998 | 69 | 1998 |
| Solvation of molecular cosolvents and inorganic salts in ionic liquids: a review of molecular dynamics simulations LM Varela, T Méndez-Morales, J Carrete, V Gómez-González, ... Journal of Molecular Liquids 210, 178-188, 2015 | 68 | 2015 |
| Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding method MMG Alemany, O Diéguez, C Rey, LJ Gallego Physical Review B 60 (13), 9208, 1999 | 68 | 1999 |
| Computer simulation of the ground-state atomic configurations of Ni-Al clusters using the embedded-atom model C Rey, J Garcia-Rodeja, LJ Gallego Physical Review B 54 (4), 2942, 1996 | 68 | 1996 |
| MD simulations of the formation of stable clusters in mixtures of alkaline salts and imidazolium-based ionic liquids T Mendez-Morales, J Carrete, S Bouzon-Capelo, M Perez-Rodriguez, ... The Journal of Physical Chemistry B 117 (11), 3207-3220, 2013 | 65 | 2013 |
| Mixtures of protic ionic liquids and molecular cosolvents: A molecular dynamics simulation B Docampo-Álvarez, V Gómez-González, T Méndez-Morales, J Carrete, ... The Journal of chemical physics 140 (21), 214502, 2014 | 63 | 2014 |
| Glass formation in binary alloy systems: A prediction of the composition range JA Alonso, LJ Gallego, JM Lopez Philosophical Magazine A 58 (1), 79-92, 1988 | 63 | 1988 |
| Molecular-dynamics study of the structure, binding energy, and melting of small clusters of fullerene molecules using Girifalco’s spherical model C Rey, LJ Gallego, JA Alonso Physical Review B 49 (12), 8491, 1994 | 61 | 1994 |
Jesús Carrete MontañaSenior Scientist, TU WienVerified email at tuwien.ac.at
