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- Minerva González-Melchor, E. Mayoral, María Eugenia Velázquez, J. L. Alejandre
- The Journal of chemical physics
- 2006

The electrostatic interactions in dissipative particle dynamics (DPD) simulations are calculated using the standard Ewald [Ann. Phys. 64, 253 (1921)] sum method. Charge distributions on DPD particles… (More)

- María Eugenia Velázquez, Armando Gama-Goicochea, Minerva González-Melchor, Maricela Neria, J. L. Alejandre
- The Journal of chemical physics
- 2006

We have performed dissipative particle dynamics (DPD) simulations to evaluate the effect that finite size of transversal area has on stress anisotropy and interfacial tension. The simulations were… (More)

- Minerva González-Melchor, J. L. Alejandre, Fernando Bresme
- Physical review letters
- 2003

Hybrid molecular dynamics and Monte Carlo simulations are performed to study the liquid-vapor interface of the restricted primitive model (RPM) of ionic fluids. We report for the first time… (More)

- Luis Enrique Sánchez-Díaz, Gloria Arlette Méndez-Maldonado, Minerva González-Melchor, Honorina Ruíz-Estrada, Magdaleno Medina-Noyola
- The Journal of chemical physics
- 2011

The generalized mean spherical approximation of the structural properties of the binary charge-symmetric fluid of screened charged hard-spheres of the same diameter, i.e., the screened restricted… (More)

- Gloria Arlette Méndez-Maldonado, Minerva González-Melchor, J. L. Alejandre
- The Journal of chemical physics
- 2012

Direct molecular dynamics simulations on interfaces at constant temperature are performed to obtain the liquid-vapor phase diagram of the two-dimensional soft primitive model, an equimolar mixture of… (More)

- Dolores García-Toral, Minerva González-Melchor, Juan Francisco Rivas-Silva, Efraín Meneses-Juárez, José Cano-Ordaz, Gregorio H Cocoletzi
- The journal of physical chemistry. B
- 2018

Classical molecular dynamics (MD) and density functional theory (DFT) calculations are developed to investigate the dopamine and caffeine encapsulation within boron nitride (BN) nanotubes (NT) with… (More)

- Efraín Meneses-Juárez, Juan Francisco Rivas-Silva, Minerva González-Melchor
- Journal of physics. Condensed matter : an…
- 2018

The water confined within a surfactant bilayer is studied using different water models via molecular dynamics simulations. We considered four representative rigid models of water: the SPC/E and the… (More)

- J. L. Alejandre, Fernando Bresme, Minerva González-Melchor, Fernando Del Río
- The Journal of chemical physics
- 2007

We have performed molecular dynamics simulations of dense liquids using nonconformal and Gaussian potential models. We investigate the effect of the softness of the potential on the pressure tensor… (More)

- Minerva González-Melchor, Pedro Orea, J López-Lemus, Fernando Bresme, J. L. Alejandre
- The Journal of chemical physics
- 2005

Finite size effects due to periodic boundary conditions are investigated using computer simulations in the canonical ensemble. We study liquids with densities corresponding to typical liquid… (More)

- María del Rosario Eustaquio-Armenta, Gloria Arlette Méndez-Maldonado, Minerva González-Melchor
- The Journal of chemical physics
- 2016

Pressure tensor components are very useful in the calculation of the tension associated with a liquid-vapor interface. In this work, we present expressions for the pressure tensor components of… (More)