Publicaciones en colaboración con investigadores/as de Universidad de Valladolid (57)

2024

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

    International Journal of Hydrogen Energy, Vol. 54, pp. 665-677

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

    International Journal of Hydrogen Energy, Vol. 50, pp. 685-696

  3. Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121

    International Journal of Hydrogen Energy, Vol. 61, pp. 57-72

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

    International Journal of Hydrogen Energy, Vol. 50, pp. 160-177

  5. Grand canonical Monte Carlo simulations of the hydrogen storage capacities of zeolite-templated carbon schwarzites at room temperature

    International Journal of Hydrogen Energy, Vol. 71, pp. 1363-1372

  6. Insights into hydrogen and methane storage capacities: Grand canonical Monte Carlo simulations of SIGSUA

    Journal of Chemical Physics, Vol. 160, Núm. 15

  7. Li-decorated BC3 nanopores: Promising materials for hydrogen storage

    International Journal of Hydrogen Energy, Vol. 57, pp. 26-38

2022

  1. Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene

    Journal of Computational Chemistry, Vol. 43, Núm. 21, pp. 1403-1419

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

    International Journal of Hydrogen Energy, Vol. 47, Núm. 23, pp. 11916-11928

2021

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

    International Journal of Hydrogen Energy, Vol. 46, Núm. 22, pp. 12192-12205

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

    Applied Surface Science, Vol. 562

2020

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

    Journal of Physics Communications, Vol. 4, Núm. 3, pp. 1-16

  2. Simulations of volumetric hydrogen storage capacities of nanoporous carbons: Effect of dispersion interactions as a function of pressure, temperature and pore width

    International Journal of Hydrogen Energy, Vol. 45, Núm. 9, pp. 5697-5709

2019

  1. Magnetostatic dipolar energy of large periodic Ni fcc nanowires, slabs and spheres

    Applied Surface Science, Vol. 490, pp. 352-364

2018

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

    Proceedings - IEEE 2018 International Congress on Cybermatics: 2018 IEEE Conferences on Internet of Things, Green Computing and Communications, Cyber, Physical and Social Computing, Smart Data, Blockchain, Computer and Information Technology, iThings/GreenCom/CPSCom/SmartData/Blockchain/CIT 2018

  2. DFT simulation of hydrogen storage on manganese phosphorous trisulphide (MnPS3)

    International Journal of Hydrogen Energy, Vol. 43, Núm. 11, pp. 5903-5912

2017

  1. MRI segmentation fusion for brain tumor detection

    Information Fusion, Vol. 36, pp. 1-9

  2. Potential-K-Means for Load Balancing and Cost Minimization in Mobile Recycling Network

    IEEE Systems Journal, Vol. 11, Núm. 1, pp. 242-249

  3. Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene

    Journal of Chemical Physics, Vol. 146, Núm. 21

2016

  1. Computing force field-based directional maps in subquadratic time

    Knowledge-Based Systems, Vol. 95, pp. 58-70