Publicacións en colaboración con investigadores/as de Universidad de Valladolid (23)

2024

  1. Exploring Challenging Properties of Liquid Metallic Systems through Machine Learning: Liquid La and Li4Pb Systems

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 8, pp. 3285-3297

2023

  1. A deep learning framework to emulate density functional theory

    npj Computational Materials, Vol. 9, Núm. 1

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

    Journal of Chemical Physics, Vol. 159, Núm. 23

2022

  1. Concentric Spherical Neural Network for 3D Representation Learning

    Proceedings of the International Joint Conference on Neural Networks

2020

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

    Acta Materialia, Vol. 198, pp. 281-289

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

    Condensed Matter Physics, Vol. 23, Núm. 2, pp. 1-12

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

    Journal of Physics Condensed Matter, Vol. 32, Núm. 30

  4. Neutron Brillouin scattering and ab initio simulation study of the collective dynamics of liquid silver

    Physical Review B, Vol. 102, Núm. 5

  5. Properties of bulk liquid Pd and Pt and their free liquid surface studied with first principles techniques

    Modelling and Simulation in Materials Science and Engineering, Vol. 28, Núm. 4

  6. Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study

    Journal of Physics Condensed Matter, Vol. 32, Núm. 21

2018

  1. Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn

    Journal of Chemical Physics, Vol. 149, Núm. 9

2017

  1. Ab initio study of intrinsic profiles of liquid metals and their reflectivity

    EPJ Web of Conferences

  2. Ab initio study of several static and dynamic properties of bulk liquid Ni near melting

    Journal of Chemical Physics, Vol. 146, Núm. 3

  3. Dynamic properties of liquid Ni revisited

    EPJ Web of Conferences

  4. First principles determination of static, dynamic and electronic properties of liquid Ti near melting

    Computational Materials Science, Vol. 139, pp. 243-251

  5. Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 8, pp. 3684-3695

  6. Local order and dynamic properties of liquid Agx-Sn1 −x alloys by ab initio molecular dynamics

    Journal of Non-Crystalline Solids, Vol. 473, pp. 179-187

  7. Longitudinal, transverse, and single-particle dynamics in liquid Zn: Ab initio study and theoretical analysis

    Physical Review B, Vol. 95, Núm. 22

  8. Orbital-free ab initio molecular dynamics study of the static structure and dynamic properties of the free liquid surface of Sn

    EPJ Web of Conferences

  9. Structure and dynamics of liquid Zn: An analysis of ab-initio simulations

    EPJ Web of Conferences