Publicacións nas que colabora con HADRIAN MONTES CAMPOS (38)

2025

  1. Data associated to the manuscript "Proton transfer in [HEIM][TFSI] ionic liquid: insights from polarisable and neural network simulations"

    Zenodo

  2. Editorial of the special issue of 29th EUCHEMSIL

    Journal of Molecular Liquids

  3. KUTE: Green-Kubo Uncertainty-Based Transport Coefficient Estimator

    Journal of Chemical Information and Modeling

  4. KUTE: Green-Kubo Uncertainty-Based Transport Coefficient Estimator

    Journal of Chemical Information and Modeling, Vol. 65, Núm. 7, pp. 3477-3487

  5. Modelling proton transfer in [HEIM][TFSI] ionic liquid

    Materials Today Energy, Vol. 53

  6. On the structure of hybrid water-in-salt electrolytes

    Physical Chemistry Chemical Physics, Vol. 27, Núm. 25, pp. 13629-13644

  7. Study of the properties of nanoconfined EMIMBF4 using polarizable molecular dynamics

    Journal of Chemical Physics, Vol. 163, Núm. 19

  8. Supporting Information: Neural Network-based Simulations of Solid Electrolyte Interfaces

    Zenodo

2024

  1. Data associated to the manuscript "On the structure of hybrid water-in-salt electrolytes"

    Zenodo

  2. Electrolyte-Electrode Interfaces: A Review of Computer Simulations

    Topics in Applied Physics (Springer Science and Business Media Deutschland GmbH), pp. 111-136

  3. On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study

    Journal of Molecular Liquids, Vol. 405

  4. Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 1, pp. 164-177

  5. Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study

    Macromolecules, Vol. 57, Núm. 9, pp. 3921-3936

2023

  1. Effect of Isomeric Alcohols on the Thermophysical Properties of Cyano-Based Ionic Liquids: Experimental and Simulation Studies

    Journal of Chemical and Engineering Data, Vol. 68, Núm. 8, pp. 1940-1952

  2. Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study

    Journal of Molecular Liquids, Vol. 386

  3. Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach

    Journal of Molecular Liquids, Vol. 392

  4. Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis

    Journal of Molecular Liquids, Vol. 385

2022

  1. A Differentiable Neural-Network Force Field for Ionic Liquids

    Journal of Chemical Information and Modeling, Vol. 62, Núm. 1, pp. 88-101

  2. Role of Anions in 5-Hydroxymethylfurfural Solvation in Ionic Liquids from Molecular Dynamics Simulations

    Advanced Theory and Simulations, Vol. 5, Núm. 12

  3. Structure, dynamics and conductivities of ionic liquid-alcohol mixtures

    Journal of Molecular Liquids, Vol. 355