Related papers: Analytic nuclear gradients including oriented exte…
The search for particle electric dipole moments represents a most promising way to search for physics beyond the standard model. A number of groups are planning a new generation of experiments using stored gases of various kinds. In order…
The density functional approach is used to study the gas-to-liquid and liquid-to-gas nucleation phenomena in a fluid of two-level atoms in an external electrical field. The influence of the field on the surface tension and nucleation and…
Attosecond chemistry involves developing strategies to manipulate electronic coherent waves in molecules, which can influence the outcome of photoinduced reactions. While recent progress in this field calls for investigations of…
A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…
We show that congruent electric, magnetic and non-resonant optical fields acting concurrently on a polar paramagnetic (and polarisable) molecule offer possibilities to both amplify and control the directionality of the ensuing molecular…
We introduce a general framework realizing edge modes in (classical) gauge field theory as dynamical reference frames, an often suggested interpretation that we make entirely explicit. We focus on a bounded region $M$ with a co-dimension…
Understanding the properties of atomic nuclei and nuclear dynamics from QCD remains a major challenge. Complementary to first attempts along these lines based on lattice QCD, an effective field theory approach has been developed in the past…
Molecules composed of atoms exhibit properties not inherent to their constituent atoms. Similarly, meta-molecules consisting of multiple meta-atoms possess emerging features that the meta-atoms themselves do not possess. Metasurfaces…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
Under strong electric fields, an arc of strong current flowing through plasma can link two metal surfaces even in ultra high vacuum. Despite decades of research, the chain of events leading to vacuum arc breakdowns is hitherto unknown.…
Precise control and study of molecules is challenging due to the variety of internal degrees of freedom and local coordinates that are typically not controlled in an experiment. Employing quantum gas microscopy to position and resolve the…
Higher derivative scalar field theories have received considerable attention for the potentially explanations of the initial state of the universe or the current cosmic acceleration which they might offer. They have also attracted many…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
We use effective field theory to compute the influence of nuclear structure on precision calculations of atomic energy levels. As usual, the EFT's effective couplings correspond to the various nuclear properties (such as the charge radius,…
We show how lasers may create fields which couple to neutral atoms in the same way that the electromagnetic fields couple to charged particles. These fields are needed for using neutral atoms as an analog quantum computer for simulating the…
We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…
Quantifying the level of atomic disorder within materials is critical to understanding how evolving local structural environments dictate performance and durability. Here, we leverage graph neural networks to define a physically…
We investigate the quantum dynamics of ultra-long-range trilobite molecules exposed to homogeneous electric fields. A trilobite molecule consists of a Rydberg atom and a ground-state atom, which is trapped at large internuclear distances in…
It is demonstrated that elastic collisions of ultracold atoms forming a heteronuclear collision complex can be manipulated by laboratory practicable dc electric fields. The mechanism of electric field control is based on the interaction of…
Local interactions among biomolecules, and the role played by their environment, have gained increasing attention in modelling biochemical reactions. By defining the automaton of molecular perceptions, we explore an agent-based…