Advances in FEL technologies have contributed remarkably to various scientific fields over
the past decade, and ultrafast molecular dynamics is no exception. The ability to probe …

Nanocomposite materials consist of nanometer-sized quantum objects such as atoms,
molecules, voids or nanoparticles embedded in a host material. These quantum objects can …

The coherence and dephasing of vibrational motions of molecules constitute an integral part
of chemical dynamics, influence material properties and underpin schemes to control …

When a molecule interacts with light, its electrons can absorb energy from the
electromagnetic field by rapidly rearranging their positions. This constitutes the first step of …

Intramolecular charge transfer and the associated changes in molecular structure in N, N′-
dimethylpiperazine are tracked using femtosecond gas-phase X-ray scattering. The …

We investigate the role of Compton ionization in ultrafast non-resonant x-ray scattering using
a molecular model system, which includes the ionization continuum via an orthonormalized …

Resolving gas phase molecular motions with simultaneous spatial and temporal resolution
is rapidly coming within the reach of x-ray Free Electron Lasers (XFELs) and Mega-electron …

Quantum coherences in electronic motions play a critical role in determining the pathways
and outcomes of virtually all photophysical and photochemical molecular processes …

X-ray scattering cross sections are calculated using a range of increasingly correlated
methods: Hartree–Fock (HF), complete active space self-consistent field (CASSCF), Monte …

The current flux density is a vector field that can be used to describe theoretically how
electrons flow in a system out of equilibrium. In this work, we unequivocally demonstrate that …