Related papers: First-principles calculations for attosecond elect…
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…
Electron dynamics in the bulk of large band gap dielectric crystals induced by intense femtosecond laser pulses at 800 nm is studied. With laser intensities under the ablation threshold (a few 10 TW/cm\textsuperscript{2}), electrons with…
We study,numerically, the dynamical behavior of an electron in a two site nonlinear system driven by dc and ac electric field separately. We also study, numerically, the effect of electric field on single static impurity and antidimeric…
Attosecond laser pulses open the door to resolve microscopic electron dynamics in time. Experiments performed include the decay of a core hole, the time-resolved measurement of photo ionization and electron tunneling. The processes…
In parallel with the evolution of femtosecond and attosecond laser as well as free-electron laser technology, a variety of theoretical methods have been developed to describe the behavior of atoms, molecules, clusters, and solids under the…
We describe the first-principles design and subsequent synthesis of a new material with the specific functionalities required for a solid-state-based search for the permanent electric dipole moment of the electron. We show computationally…
We calculate the first order maximal acceleration corrections to the classical electrodynamics of a particle in external electromagnetic fields. These include additional dissipation terms, the presence of a critical electric field, a…
The microscopic understanding of the dramatic increase in viscosity of liquids when cooled towards the glass transition is a major unresolved issue in condensed matter physics. Here, we use machine learning methods to accelerate molecular…
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least $\mu$m and $\mu$s, respectively -- rely on a coarse-graining approximation such that only…
In the context of novel solid electrolytes for solid-state batteries, first-principles calculations are becoming increasingly more popular due to their ability to reproduce and predict accurately the energy, structural, and dynamical…
Piezoelectrics have long been studied using parameterized models fit to experimental data, starting with the work of Devonshire in 1954. Much has been learned using such approaches, but they can also miss major phenomena if the materials…
Energy coupling during relativistically intense laser-matter interactions is encoded in the attosecond motion of strongly driven electrons at the pre-formed plasma-vacuum boundary. Studying and controlling this motion can reveal details…
Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped by the slow nuclear rearrangement on a femtosecond timescale…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
Numerical simulations have become an important tool to understand and predict non-perturbative phenomena in particle physics. In this article we attempt to present a general overview over the field. First, the basic concepts of lattice…
In this series of lectures it is illustrated how one can study the strong dynamics of nuclei by means of the electroweak probe. In particular, the most important steps to derive the cross sections in first order perturbation theory are…
The non-thermal acceleration of electrons and ions at an oblique, non-relativistic shock is studied using large scale particle-in-cell (PIC) simulations in one spatial dimension. Physical parameters are selected to highlight the role of…
Due to critical environmental and technological issues, there is a pressing need to switch from current refrigeration methods based on compression of gases to novel solid-state cooling technologies. Solid-state cooling is based on the…
In this Letter we present a field-theoretic formulation for describing non-ideal quantum electrodynamic effects. It generalizes its ideal counterpart and is valid in the non-ideal domain. We compute some non-ideal elementary processes both…
Born-Infeld nonlinear electrodynamics are considered. Main attention is given to existence of singular point at static field configuration that M.Born and L.Infeld are considered as a model of electron. It is shown that such singularities…