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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The SIESTA method for ab initio order-N materials simulation
José M. Soler,Emilio Artacho,Julian D. Gale,Alberto García,Javier Junquera,Javier Junquera,Pablo Ordejón,Daniel Sánchez-Portal +7 more
TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
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Self-consistent order- N density-functional calculations for very large systems
TL;DR: A method to perform fully self-consistent density-functional calculations that scales linearly with the system size and which is well suited for very large systems is presented, using strictly localized pseudoatomic orbitals as basis functions.
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Density-functional method for very large systems with LCAO basis sets
TL;DR: In this article, a linear scaling, fully self-consistent density-functional method for performing first-principles calculations on systems with a large number of atoms, using standard norm-conserving pseudopotentials and flexible linear combinations of atomic orbitals (LCAO) basis sets, was implemented.
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Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes.
TL;DR: This work presents an efficient implementation of the van der Waals density functional, which expresses the nonlocal correlation energy as a double spatial integral, and applies the method to calculate the binding energies and the barriers for relative translation and rotation in double-wall carbon nanotubes.
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Linear-scaling ab-initio calculations for large and complex systems
TL;DR: A brief review of the Siesta project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms as discussed by the authors.