| Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins C Vega, E Sanz, JLF Abascal, EG Noya Journal of Physics: Condensed Matter 20 (15), 153101, 2008 | 289 | 2008 |
| Controlling crystallization and its absence: proteins, colloids and patchy models JPK Doye, AA Louis, IC Lin, LR Allen, EG Noya, AW Wilber, HC Kok, ... Physical Chemistry Chemical Physics 9 (18), 2197-2205, 2007 | 197 | 2007 |
| Reversible self-assembly of patchy particles into monodisperse icosahedral clusters AW Wilber, JPK Doye, AA Louis, EG Noya, MA Miller, P Wong The Journal of chemical physics 127 (8), 08B618, 2007 | 196 | 2007 |
| Revisiting the Frenkel-Ladd method to compute the free energy of solids: The Einstein molecule approach C Vega, EG Noya The Journal of Chemical Physics 127 (15), 154113, 2007 | 142 | 2007 |
| Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima HL Pi, JL Aragones, C Vega, EG Noya, JLF Abascal, MA Gonzalez, ... Molecular Physics 107 (4-6), 365-374, 2009 | 138 | 2009 |
| The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry EG Noya, C Vega, JPK Doye, AA Louis The Journal of chemical physics 132 (23), 234511, 2010 | 101 | 2010 |
| Determination of the melting point of hard spheres from direct coexistence simulation methods EG Noya, C Vega, E de Miguel The Journal of chemical physics 128 (15), 154507, 2008 | 97 | 2008 |
| Heat capacity of water: A signature of nuclear quantum effects C Vega, MM Conde, C McBride, JLF Abascal, EG Noya, R Ramírez, ... The Journal of chemical physics 132 (4), 046101, 2010 | 95 | 2010 |
| Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour EG Noya, JPK Doye, DJ Wales, A Aguado The European Physical Journal D 43 (1-3), 57-60, 2007 | 91 | 2007 |
| Phase diagram of model anisotropic particles with octahedral symmetry EG Noya, C Vega, JPK Doye, AA Louis The Journal of chemical physics 127 (5), 054501, 2007 | 90 | 2007 |
| Thermal conductivity of carbon nanotube peapods EG Noya, D Srivastava, LA Chernozatonskii, M Menon Physical Review B 70 (11), 115416, 2004 | 81 | 2004 |
| Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water A Reinhardt, JPK Doye, EG Noya, C Vega The Journal of chemical physics 137 (19), 194504, 2012 | 78 | 2012 |
| Structural transitions in the 309-atom magic number Lennard-Jones cluster EG Noya, JPK Doye The Journal of chemical physics 124 (10), 104503, 2006 | 78 | 2006 |
| Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005 C McBride, C Vega, EG Noya, R Ramírez, LM Sesé The Journal of chemical physics 131 (2), 024506, 2009 | 69 | 2009 |
| Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins EG Noya, MM Conde, C Vega The Journal of chemical physics 129 (10), 104704, 2008 | 69 | 2008 |
| The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase JL Aragones, MM Conde, EG Noya, C Vega Physical Chemistry Chemical Physics 11 (3), 543-555, 2009 | 66 | 2009 |
| Theoretical study of the melting of aluminum clusters EG Noya, JPK Doye, F Calvo Physical Review B 73 (12), 125407, 2006 | 61 | 2006 |
| Heat-pulse rectification in carbon nanotube Y junctions EG Noya, D Srivastava, M Menon Physical Review B 79 (11), 115432, 2009 | 59 | 2009 |
| Density-functional calculations of the structures, binding energies, and spin multiplicities of Fe–C clusters EG Noya, RC Longo, LJ Gallego The Journal of chemical physics 119 (21), 11130-11134, 2003 | 56 | 2003 |
| Fully unconstrained density-functional study of the structures and magnetic moments of small Mn n clusters (n= 2–7) RC Longo, EG Noya, LJ Gallego Physical Review B 72 (17), 174409, 2005 | 50 | 2005 |
Carlos VegaProfessor of Physical Chemistry, Universidad Complutense de MadridVerified email at ucm.es
