Navegação PRODUCCIÓN CIENTÍFICA por autor "Aguado Rodríguez, Andrés"

A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties

Álvarez Zapatero, Pablo

; Vega Hierro, Andrés

; Aguado Rodríguez, Andrés

(2021)

Ab initio calculation of the lattice distortions induced by substitutional Ag^- and Cu^- impurities in alkali halide crystals

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

; Alonso Martín, Julio Alfonso

(2000)

Ab initio calculations of structures and stabilities of (NaI) nNa1 and ( CsI) nCs1 cluster ions

Aguado Rodríguez, Andrés

; Ayuela Fernández, Andrés; López Rodríguez, José Manuel

; Alonso Martín, Julio Alfonso

(1998)

Anomalous Size Dependence in the Melting Temperatures of Free Sodium Clusters: An Explanation for the Calorimetry Experiments

López Rodríguez, José Manuel

; Aguado Rodríguez, Andrés

(2005)

Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters

Aguado Rodríguez, Andrés

; Vega Hierro, Andrés

; Lebon, Alexandre; von Issendorff, Bernd (2018)

Atomic layering and related postmelting effects in small liquid metal clusters

Nuñez, Sara; López Rodríguez, José Manuel

; Aguado Rodríguez, Andrés

(2009)

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly-Charged Cadmium Clusters

Álvarez Zapatero, Pablo

; Aguado Rodríguez, Andrés

(2019)

Computational modeling of metallic nanoclusters and nano-alloys for catalytic and corrosion applications.

Álvarez Zapatero, Pablo

(2022)

Correlation between the latent heats and cohesive energies of metal clusters

Starace, Anne K.; Neal, Colleen M.; Cao, Baopeng; Jarrold, Martin F.; Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2008)

Electronic effects on melting: Comparison of aluminum cluster anions and cations

Starace, Anne K.; Neal, Colleen M.; Cao, Baopeng; Jarrold, Martin F.; Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2009)

Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2011)

Incorporating charge transfer effects into a metallic empirical potential for accurate structure determination in (ZnMg)N nanoalloys

Álvarez Zapatero, Pablo

; Vega Hierro, Andrés

; Aguado Rodríguez, Andrés

(2020)

Lattice distortions around a Tl(+) impurity in NaI:Tl(+) and CsI:Tl(+) scintillators: An ab initio study involving large active clusters

Aguado Rodríguez, Andrés

; Ayuela Fernández, Andrés; López Rodríguez, José Manuel

; Alonso Martín, Julio Alfonso

(1998)

Molecular dynamics simulations of the meltinglike transition in Li13Na42 and Na13Cs42 clusters

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2004)

Orbital-free molecular dynamics simulations of melting in Na_8 and Na_20 : Melting in steps

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

; Alonso Martín, Julio Alfonso

; Stott, Malcolm J. (1999)

Small sodium clusters that melt gradually: Melting mechanisms in Na30

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2006)

Structural and electronic properties of small neutral (MgO)_ n clusters

Puente, Eduardo de la; Aguado Rodríguez, Andrés

; Ayuela Fernández, Andrés; López Rodríguez, José Manuel

(1997)

Structural and thermal behavior of compact core-shell nanoparticles: Core instabilities and dynamic contributions to surface thermal stability

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2005)

Structure and bonding in small neutral alkali halide clusters

Aguado Rodríguez, Andrés

; Ayuela Fernández, Andrés; López Rodríguez, José Manuel

; Alonso Martín, Julio Alfonso

(1997)

Structure determination in 55-atom Li–Na and Na–K nanoalloys

Aguado Rodríguez, Andrés

; López Rodríguez, José Manuel

(2010)

Navegação PRODUCCIÓN CIENTÍFICA por autor "Aguado Rodríguez, Andrés" Google Citations

A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties ﻿

Ab initio calculation of the lattice distortions induced by substitutional Ag^- and Cu^- impurities in alkali halide crystals ﻿

Ab initio calculations of structures and stabilities of (NaI) nNa1 and ( CsI) nCs1 cluster ions ﻿

Anomalous Size Dependence in the Melting Temperatures of Free Sodium Clusters: An Explanation for the Calorimetry Experiments ﻿

Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters ﻿

Atomic layering and related postmelting effects in small liquid metal clusters ﻿

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly-Charged Cadmium Clusters ﻿

Computational modeling of metallic nanoclusters and nano-alloys for catalytic and corrosion applications. ﻿

Correlation between the latent heats and cohesive energies of metal clusters ﻿

Electronic effects on melting: Comparison of aluminum cluster anions and cations ﻿

Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch ﻿

Incorporating charge transfer effects into a metallic empirical potential for accurate structure determination in (ZnMg)N nanoalloys ﻿

Lattice distortions around a Tl(+) impurity in NaI:Tl(+) and CsI:Tl(+) scintillators: An ab initio study involving large active clusters ﻿

Molecular dynamics simulations of the meltinglike transition in Li13Na42 and Na13Cs42 clusters ﻿

Orbital-free molecular dynamics simulations of melting in Na_8 and Na_20 : Melting in steps ﻿

Small sodium clusters that melt gradually: Melting mechanisms in Na30 ﻿

Structural and electronic properties of small neutral (MgO)_ n clusters ﻿

Structural and thermal behavior of compact core-shell nanoparticles: Core instabilities and dynamic contributions to surface thermal stability ﻿

Structure and bonding in small neutral alkali halide clusters ﻿

Structure determination in 55-atom Li–Na and Na–K nanoalloys ﻿

A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties

Ab initio calculation of the lattice distortions induced by substitutional Ag^- and Cu^- impurities in alkali halide crystals

Ab initio calculations of structures and stabilities of (NaI) nNa1 and ( CsI) nCs1 cluster ions

Anomalous Size Dependence in the Melting Temperatures of Free Sodium Clusters: An Explanation for the Calorimetry Experiments

Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters

Atomic layering and related postmelting effects in small liquid metal clusters

Computational Characterisation of Structure and Metallicity in Small Neutral and Singly-Charged Cadmium Clusters

Computational modeling of metallic nanoclusters and nano-alloys for catalytic and corrosion applications.

Correlation between the latent heats and cohesive energies of metal clusters

Electronic effects on melting: Comparison of aluminum cluster anions and cations

Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch

Incorporating charge transfer effects into a metallic empirical potential for accurate structure determination in (ZnMg)N nanoalloys

Lattice distortions around a Tl(+) impurity in NaI:Tl(+) and CsI:Tl(+) scintillators: An ab initio study involving large active clusters

Molecular dynamics simulations of the meltinglike transition in Li13Na42 and Na13Cs42 clusters

Orbital-free molecular dynamics simulations of melting in Na_8 and Na_20 : Melting in steps

Small sodium clusters that melt gradually: Melting mechanisms in Na30

Structural and electronic properties of small neutral (MgO)_ n clusters

Structural and thermal behavior of compact core-shell nanoparticles: Core instabilities and dynamic contributions to surface thermal stability

Structure and bonding in small neutral alkali halide clusters

Structure determination in 55-atom Li–Na and Na–K nanoalloys