Publicaciones en colaboración con investigadoras/es de Harvard University (20)

2024

  1. Two-dimensional heavy fermions in the van der Waals metal CeSiI

    Nature, Vol. 625, Núm. 7995, pp. 483-488

2023

  1. The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 120, Núm. 17

  2. Weakened Topological Protection of the Quantum Hall Effect in a Cavity

    Physical Review Letters, Vol. 131, Núm. 19

2022

  1. Moiré nematic phase in twisted double bilayer graphene

    Nature Physics, Vol. 18, Núm. 2, pp. 196-202

2021

  1. Low-energy electrodynamics and optical signatures of excitonic insulator state in Ta2NiSe5

    Optics InfoBase Conference Papers

  2. Moiré metrology of energy landscapes in van der Waals heterostructures

    Nature Communications, Vol. 12, Núm. 1

  3. The Magnetic Genome of Two-Dimensional van der Waals Materials

    ACS Nano

2020

  1. The 2020 skyrmionics roadmap

    Journal of Physics D: Applied Physics, Vol. 53, Núm. 36

  2. Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin

    Biophysical Journal, Vol. 118, Núm. 12, pp. 2979-2988

2016

  1. A robust super-tough biodegradable elastomer engineered by supramolecular ionic interactions

    Biomaterials, Vol. 84, pp. 54-63

2015

  1. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 47, pp. 31371-31396

2014

  1. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

    Journal of Computational Chemistry, Vol. 35, Núm. 6, pp. 427-444

2012

  1. Time-dependent density-functional theory in massively parallel computer architectures: The octopus project

    Journal of Physics Condensed Matter, Vol. 24, Núm. 23

2006

  1. Nucleophilic attack on phosphate diesters: A density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems

    Journal of Physical Chemistry B, Vol. 110, Núm. 23, pp. 11525-11539

2003

  1. A charge-scaling method to treat solvent in QM/MM simulations

    Theoretical Chemistry Accounts

  2. Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization

    Journal of Physical Chemistry A, Vol. 107, Núm. 13, pp. 2304-2315

2002

  1. Theoretical evaluation of pKa in phosphoranes: Implications for phosphate ester hydrolysis

    Journal of the American Chemical Society, Vol. 124, Núm. 18, pp. 5010-5018

2001

  1. Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: Application of hammond and anti-hammond postulates to understand hydrolysis in solution

    Journal of the American Chemical Society, Vol. 123, Núm. 47, pp. 11755-11763

  2. Synthesis of a novel diarylphosphinic acid: A distorted ground state mimic and transition state analogue for amide hydrolysis

    Tetrahedron, Vol. 57, Núm. 52, pp. 10299-10307

1999

  1. Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction

    Journal of the American Chemical Society, Vol. 121, Núm. 23, pp. 5548-5558