Related papers: A tutorial review: probing molecular structure and…
The determination of the chemical content is crucial for the quality control in high-precision device fabrication and advanced process development. For reliable chemical composition characterization, certain interaction volume of the target…
Lattice Quantum Chromodynamics (LQCD) studies of light nuclei have entered an era when first results on structure and reaction properties of light nuclei have emerged in recent years, complementing existing results on their lowest-lying…
Quantum Chromodynamics (QCD) is generally assumed to be the fundamental theory underlying nuclear physics. In recent years there is progress towards investigating the nucleon structure from first principles of QCD. Although this structure…
A spectroscopic application of the atom laser is suggested. The spectroscopy termed 2PACC employs the coherent properties of matter-waves from a two pulse atom laser. These waves are employed to control a gas-surface chemical recombination…
To unlock the full potential of lithium metal batteries, a deep understanding of lithium metal reactivity and its solid electrolyte interphase is essential. Correlative imaging, combining focused ion beam and electron microscopy offers a…
While atom tracking with isotope-labeled compounds is an essential and sophisticated wet-lab tool in order to, e.g., illuminate reaction mechanisms, there exists only a limited amount of formal methods to approach the problem. Specifically…
The LHeC and the FCC-he will open a new realm in our understanding of nuclear structure and the dynamics in processes involving nuclei, in an unexplored kinematic domain. We review some of the recent studies as shown in the update of the…
We present efficient and reliable molecular dynamics simulations of the photodissociation of dichloromethane followed by Coulomb explosion. These simulations are performed by calculating trajectories on accurate potential energy surfaces of…
We study the dynamics of initial nucleation processes of photoinduced structural change of molecular crystals. In order to describe the nonadiabatic transition in each molecule, we employ a model of localized electrons coupled with a fully…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
Atomistic simulations using accurate energy functions can provide molecular-level insight into functional motions of molecules in the gas- and in the condensed phase. Together with recently developed and currently pursued efforts in…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack…
The LEP experiments are making real progress in understanding the structure of the photon, though the results do not yet give such clear demonstrations of QCD in action as the proton structure has done. Other new results are reported,…
A fixed-target program at the Electron-Ion Collider (EIC) would broaden the facility's scientific reach by providing key measurements for studies of cold nuclear matter (CNM), the QCD phase diagram, and nuclear reactions relevant for space…
The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the…
This computational experiment demonstrates that chain melting in lipids is a molecular process. BOMD is certainly the best method to reproduce such dynamics properties, since the electronic contributions to the various molecular structures…
Short laser pulses are widely used for controlling molecular rotational degrees of freedom and inducing molecular alignment, orientation, unidirectional rotation and other types of coherent rotational motion. To follow the ultra-fast…
Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…
The advent of ultrafast pulsed X-ray free-electron lasers with very high brightness has enabled the determination of transient molecular structures of small and medium-sized organic molecules in excited states and undergoing chemical…