Related papers: Full-scale ab initio simulations of laser-driven a…
Laser melting of semiconductors has been observed for almost 40 years; surprisingly, it is not well understood where most theoretical simulations show a laser-induced thermal process. $\textit{Ab initio}$ nonadiabatic simulations based on…
Two emerging areas of research, attosecond and nanoscale physics, have recently started to merge. Attosecond physics deals with phenomena occurring when ultrashort laser pulses, with duration on the femto- and sub-femtosecond time scales,…
Owing to their small mass, hydrogen atoms exhibit strong quantum behavior even at room temperature. Including these effects in first principles calculations is challenging, because of the huge computational effort required by conventional…
This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary…
Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio…
The strong influence of the electron dynamics provides the possibility of controlling the expansion of laser-produced plasmas by appropriately shaping the laser pulse. A simple irradiation scheme is proposed to tailor the explosion of large…
Quantum material systems upon applying ultrashort laser pulses provide a rich platform to access excited material phases and their transformations that are not entirely like their equilibrium counterparts. The addressability and potential…
Many important ultrafast phenomena take place in the liquid phase. However, there is no practical theory to predict how liquids respond to intense light. Here, we propose an $ab~initio$ accurate method to study the non-perturbative…
Recent breakthroughs in the experimental manipulation of strongly interacting atomic Rydberg gases in lattice potentials have opened a new avenue for the study of many-body phenomena. Considerable efforts are currently being undertaken to…
We have shown that it is possible to model accurately optical phenomena in intense laser fields by taking into account the intensity distribution over the laser beam. We developed a theoretical model that divided an intense laser beam into…
A theoretical model is developed for the interaction of intense femtosecond laser pulses with solid targets on the basis of the two-temperature equation of state for an irradiated substance. It allows the description of the dynamics of the…
Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photo-bases and acids to light-driven, enzymatic catalysis and photosynthesis. However, the simulation of such…
Laser excitation of nanometer-sized atomic and molecular clusters offers various opportunities to explore and control ultrafast many-particle dynamics. Whereas weak laser fields allow the analysis of photoionization, excited-state…
We present a theoretical study of strong laser-atom interactions, when the laser field parameters are subjected to random processes. The atom is modelled by a two-level and three-level systems, while the statistical fluctuations of the…
Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
Ultracold fermionic atoms in optical lattices offer pristine realizations of Hubbard models, which are fundamental to modern condensed matter physics. Despite significant advancements, the accessible temperatures in these optical lattice…
We use analytical methods and particle-in-cell simulation to investigate the origin of electrons accelerated by the process of direct laser acceleration driven by high-power laser pulses in preformed narrow cylindrical plasma channels. The…
In the electron-driven fast-ignition approach to inertial confinement fusion, petawatt laser pulses are required to generate MeV electrons that deposit several tens of kilojoules in the compressed core of an imploded DT shell. We review…
We study the onset of electron heating in intense laser-solid interactions and its impact on the spectral quality of radiation pressure accelerated ions in both hole boring and light sail regimes. Two- and three-dimensional particle-in-cell…
The atomistic resolution recently achieved by ultrafast spectroscopies demands corresponding theoretical advances. Real-time time-dependent density-functional theory (RT-TDDFT) with Ehrenfest dynamics offers an optimal trade-off between…