Publications in collaboration with researchers from Fundación Agencia Aragonesa para la Investigación y el Desarrollo (33)

2024

  1. Unlocking sustainable power: advances in aqueous processing and water-soluble binders for NMC cathodes in high-voltage Li-ion batteries

    RSC Sustainability, Vol. 2, Núm. 8, pp. 2125-2149

2023

  1. Floquet engineering with quantum optimal control theory

    New Journal of Physics, Vol. 25, Núm. 4

2022

  1. Charge transfer in ultrafast isomerization of acetylene ions

    Physical Review A, Vol. 106, Núm. 3

  2. Floquet engineering the band structure of materials with optimal control theory

    Physical Review Research, Vol. 4, Núm. 3

  3. Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 19, pp. 11510-11519

  4. Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929

2021

  1. Diagnostic yield of sequencing familial hypercholesterolemia genes in individuals with primary hypercholesterolemia

    Revista Espanola de Cardiologia, Vol. 74, Núm. 8, pp. 664-673

  2. Single and double charge transfer in the Ne2++He collision within time-dependent density-functional theory

    Physical Review A, Vol. 103, Núm. 3

2020

  1. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

    Journal of Chemical Physics, Vol. 152, Núm. 12

  2. Production and processing of graphene and related materials

    2D Materials, Vol. 7, Núm. 2

2019

  1. Emissive enhancement of the singlet oxygen chemiluminescence probe after binding to bovine serum albumin

    Molecules, Vol. 24, Núm. 13

  2. Optimal control theory for quantum electrodynamics: an initial state problem

    European Physical Journal B, Vol. 92, Núm. 10

  3. Structural insights into the ability of nucleoplasmin to assemble and chaperone histone octamers for DNA deposition

    Scientific Reports, Vol. 9, Núm. 1

2018

  1. Imidazole-Grafted Nanogels for the Fabrication of Organic–Inorganic Protein Hybrids

    Advanced Functional Materials, Vol. 28, Núm. 35

  2. Propagators for the Time-Dependent Kohn-Sham Equations: Multistep, Runge-Kutta, Exponential Runge-Kutta, and Commutator Free Magnus Methods

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 6, pp. 3040-3052

  3. Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4

    ACS Central Science, Vol. 4, Núm. 9, pp. 1274-1290

  4. Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition

    Journal of the American Chemical Society, Vol. 140, Núm. 31, pp. 9952-9960

2016

  1. A Quantitative Characterization of Nucleoplasmin/Histone Complexes Reveals Chaperone Versatility

    Scientific Reports, Vol. 6

  2. Assemblies of magnetite nanoparticles extracted from magnetotactic bacteria: A magnetic study

    Applied Physics Letters, Vol. 108, Núm. 6

  3. Design of α-S-Neoglycopeptides Derived from MUC1 with a Flexible and Solvent-Exposed Sugar Moiety

    Journal of Organic Chemistry, Vol. 81, Núm. 14, pp. 5929-5941