Sfoglia PNM - Artículos de revistas per Titolo

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 study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

Vega Hierro, Andrés

; Gallego del Hoyo, Luis Javier; Lebon, Alexandre; Álvarez Zapatero, Pablo; Herrero, Andrés (2021)

Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

González Del Rio, Beatriz

; González Tesedo, Luis Enrique

(2023)

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

González Fernández, David José

; González Tesedo, Luis Enrique

(2023)

Analysis of the Symmetry Properties of Large Periodic Magnetic Systems, to Reduce the Computation Time of the Calculation of the Magnetostatic Dipolar Energy

Cabria Álvaro, Iván

(2018)

Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids

Gómez González, Víctor; Otero Mato, J. Manuel; Montes Campos, Hadrián; García Andrade, Xabier; García Fuente, Amador; Vega Hierro, Andrés

; Carrete, Jesús; Cabeza, Oscar; Gallego, Luis J.; Varela, Luis M. (2020)

Comparison of theoretical methods of the hydrogen storage capacities of nanoporous carbons

Cabria Álvaro, Iván

(2020)

Depth-dependent dynamics of liquid metal surfaces with first principles simulations

G. del Río, Beatriz; González Tesedo, Luis Enrique

(2020)

Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study

Granja del Río, Alejandra

; Cabria Álvaro, Iván

(2023)

First principles determination of some static and dynamic properties of the liquid 3d transition metals near melting

G. del Río, Beatriz; Pascual, Carlos; Rodríguez, O.; González Tesedo, Luis Enrique

; González Fernández, David José

(2020)

First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting

González Tesedo, Luis Enrique

; González Fernández, David José

(2022)

First principles study of liquid uranium at temperatures up to 2050 K

González Del Rio, Beatriz

; González Tesedo, Luis Enrique

; González Fernández, David José

(2020)

Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature

Granja del Río, Alejandra

; Cabria Álvaro, Iván

(2023)

Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature

Cabria Álvaro, Iván

(2023)

Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

Caviedes Velasco, David; Cabria Álvaro, Iván

(2022)

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

Vega Hierro, Andrés

; Cabria Álvaro, Iván

; Gallego del Hoyo, Luis Javier; Torres Cabrera, María Begoña; Lebon, Alexandre (2021)

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)

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

Cabria Álvaro, Iván

; Lebon, Alexandre; Torres Cabrera, María Begoña; Gallego del Hoyo, Luis Javier; Vega Hierro, Andrés

(2024)

Magnetostatic dipolar anisotropy energy and anisotropy constants in arrays of ferromagnetic nanowires as a function of their radius and interwall distance

Cabria Álvaro, Iván

; Prida, Victor Manuel de la (2020)

Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres

Cabria Álvaro, Iván

(2019)

Sfoglia PNM - Artículos de revistas per Titolo

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 study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure ﻿

Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys ﻿

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting ﻿

Analysis of the Symmetry Properties of Large Periodic Magnetic Systems, to Reduce the Computation Time of the Calculation of the Magnetostatic Dipolar Energy ﻿

Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids ﻿

Comparison of theoretical methods of the hydrogen storage capacities of nanoporous carbons ﻿

Depth-dependent dynamics of liquid metal surfaces with first principles simulations ﻿

Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study ﻿

First principles determination of some static and dynamic properties of the liquid 3d transition metals near melting ﻿

First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting ﻿

First principles study of liquid uranium at temperatures up to 2050 K ﻿

Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature ﻿

Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature ﻿

Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes ﻿

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study ﻿

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

Li-decorated BC3 nanopores: Promising materials for hydrogen storage ﻿

Magnetostatic dipolar anisotropy energy and anisotropy constants in arrays of ferromagnetic nanowires as a function of their radius and interwall distance ﻿

Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres ﻿

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 study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2 and liquid Li–Pb alloys

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

Analysis of the Symmetry Properties of Large Periodic Magnetic Systems, to Reduce the Computation Time of the Calculation of the Magnetostatic Dipolar Energy

Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids

Comparison of theoretical methods of the hydrogen storage capacities of nanoporous carbons

Depth-dependent dynamics of liquid metal surfaces with first principles simulations

Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study

First principles determination of some static and dynamic properties of the liquid 3d transition metals near melting

First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting

First principles study of liquid uranium at temperatures up to 2050 K

Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature

Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature

Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

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

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

Magnetostatic dipolar anisotropy energy and anisotropy constants in arrays of ferromagnetic nanowires as a function of their radius and interwall distance

Magnetostatic Dipolar Energy of Large Periodic Ni fcc Nanowires, Slabs and Spheres