J
José M. Soler
Researcher at Autonomous University of Madrid
Publications - 169
Citations - 26404
José M. Soler is an academic researcher from Autonomous University of Madrid. The author has contributed to research in topics: Density functional theory & van der Waals force. The author has an hindex of 53, co-authored 169 publications receiving 23325 citations. Previous affiliations of José M. Soler include International School for Advanced Studies & Massachusetts Institute of Technology.
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Surface layering and local structure in liquid surfaces
TL;DR: In this article, a first principles molecular dynamics simulation of the liquid silicon surface was performed, which showed pronounced density oscillations, similar to those in other liquid metal surfaces, using the pair correlation function to characterize the local atomic environment, and compared those results with classical simulations of other liquids.
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Density, structure and dynamics of water: the effect of Van der Waals interactions
TL;DR: In this article, the authors present a DFTAIMD study of liquid water using several GGA functionals as well as the van der Waals density functional (vdW-DF) of Dion et al.
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Image-Plane Position Dependence on Metal Crystallographic Face
TL;DR: In this article, the authors show that the distance of the image plane to the first atomic layer depends only weakly on the crystallographic orientation of the surface and that this weak dependence explains why the image states present a relative low dependence on surface orientation.
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Azafullerene-like nanosized clusters.
Vicente López,Guillermo Román Pérez,Andrés Arregui,Eva Mateo-Martí,Luis Bañares,José A. Martín-Gago,José M. Soler,Julio Gómez-Herrero,Félix Zamora +8 more
TL;DR: The structure and stability of these new nitrogen-rich carbon nitride nanocages has been investigated using density functional theory calculations.
Posted Content
Density functional calculations of planar DNA base-pairs
TL;DR: It is shown that the interaction energies at Hartree-Fock geometries are in very good agreement with those of second order M{\o}ller-Plesset (MP2) perturbation theory (the most accurate technique that can be applied at present for system of the sizes of the base-pairs).