Publicaciones en colaboración con investigadoras/es de University of Hamburg (113)

2024

  1. Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)

    npj Quantum Materials, Vol. 9, Núm. 1

  2. Exchange energies with forces in density-functional theory

    Journal of Chemical Physics, Vol. 160, Núm. 2

  3. Exchange-only virial relation from the adiabatic connection

    Journal of Chemical Physics, Vol. 160, Núm. 8

  4. Morphology and confinement effects on crystallization kinetics in polyethylene containing block copolymers

    Polymer, Vol. 298

2023

  1. Cavity Born-Oppenheimer Hartree-Fock Ansatz: Light-Matter Properties of Strongly Coupled Molecular Ensembles

    The journal of physical chemistry letters, Vol. 14, Núm. 36, pp. 8024-8033

  2. High-harmonic spectroscopy of low-energy electron-scattering dynamics in liquids

    Nature Physics, Vol. 19, Núm. 12, pp. 1813-1820

  3. Introduction: Polaritonic Chemistry

    Chemical reviews

  4. Numerically Exact Solution for a Real Polaritonic System under Vibrational Strong Coupling in Thermodynamic Equilibrium: Loss of Light-Matter Entanglement and Enhanced Fluctuations

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 23, pp. 8801-8814

  5. Photoinduced Dynamics at the Water/TiO2 (101) Interface

    Physical Review Letters, Vol. 130, Núm. 10

  6. Protected spin-orbit induced absorption divergence in distorted Landau levels

    Physical Review B, Vol. 107, Núm. 21

  7. Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics

    Chemical Reviews, Vol. 123, Núm. 19, pp. 11191-11229

2022

  1. A Chirality-Based Quantum Leap

    ACS Nano, Vol. 16, Núm. 4, pp. 4989-5035

  2. A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

    Journal of Chemical Physics, Vol. 156, Núm. 23

  3. Class of distorted Landau levels and Hall phases in a two-dimensional electron gas subject to an inhomogeneous magnetic field

    Physical Review Research, Vol. 4, Núm. 4

  4. Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

    Nature Communications, Vol. 13, Núm. 1

  5. Ultrafast dynamics of adenine following XUV ionization

    JPhys Photonics, Vol. 4, Núm. 3

2021

  1. Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 12, pp. 7321-7340

  2. Down-conversion processes in ab initio nonrelativistic quantum electrodynamics

    Physical Review Research, Vol. 3, Núm. 3

  3. Hydrated alkali atoms on copper(111): A density functional theory study

    Journal of Physical Chemistry C, Vol. 125, Núm. 7, pp. 3868-3879

  4. Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light–matter coupling

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 118, Núm. 41