Publications (76) Publications in which a researcher has participated


  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


  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


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

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