Publikationen in Zusammenarbeit mit Forschern von Center for Free-Electron Laser Science (43)

2023

  1. Floquet engineering with quantum optimal control theory

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

  2. Optimizing Floquet engineering for non-equilibrium steady states with gradient-based methods

    SciPost Physics, Vol. 15, Núm. 1

  3. Realizing Attosecond Core-Level X-ray Spectroscopy for the Investigation of Condensed Matter Systems

    Ultrafast Science, Vol. 3

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

2021

  1. 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

2019

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

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

  2. The structural determination and skeletal ring modes of tetrahydropyran

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 6, pp. 3016-3023

2018

  1. CHAPTER 12: Real-time and Real-space Time-dependent Density-functional Theory Approach to Attosecond Dynamics

    RSC Theoretical and Computational Chemistry Series (Royal Society of Chemistry), pp. 424-461

  2. Exploring the Rich Potential Energy Surface of (H2O)11 and Its Physical Implications

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 1141-1153

  3. Microwave spectra and nuclear quadrupole structure of the NH3-N2 van der Waals complex and its deuterated isotopologues

    Journal of Chemical Physics, Vol. 149, Núm. 22

  4. On the Performance of Hybrid Functionals for Non-linear Optical Properties and Electronic Excitations in Chiral Molecular Crystals: The Case of Butterfly-Shaped Dicinnamalacetone

    ChemPhysChem, Vol. 19, Núm. 1, pp. 82-92

  5. 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

  6. Quantitative chiral analysis by molecular rotational spectroscopy

    Chiral Analysis: Advances in Spectroscopy, Chromatography and Emerging Methods: Second Edition (Elsevier Inc.), pp. 679-729

  7. Sensing Chirality with Rotational Spectroscopy

    Annual Review of Physical Chemistry, Vol. 69, pp. 499-519

  8. The Effect of Dispersion on the Structure of Diphenyl Ether Aggregates

    Angewandte Chemie - International Edition, Vol. 57, Núm. 30, pp. 9534-9537

  9. The phenyl vinyl ether–methanol complex: A model system for quantum chemistry benchmarking

    Beilstein Journal of Organic Chemistry, Vol. 14, pp. 1642-1654

2017

  1. A global study of the conformers of 1,2-propanediol and new vibrationally excited states

    Journal of Molecular Spectroscopy, Vol. 337, pp. 9-16

  2. Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene

    Journal of Physical Chemistry Letters, Vol. 8, Núm. 23, pp. 5744-5750