Related papers: Simulating Ultrafast Transient Absorption Spectra …
A computational method based on a first-principles multiscale simulation has been used for calculating the optical response and the ablation threshold of an optical material irradiated with an ultrashort intense laser pulse. The method…
Spintronic terahertz emitters (STEs) pumped by femtosecond lasers have become a widely used source of broadband terahertz radiation. However, the strength of the emitted field is limited in part by the optical damage threshold at the pump…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We examine the multiple exciton population dynamics in PbS quantum dots by ultrafast spectrally-resolved supercontinuum transient absorption (SC-TA). We simultaneously probe the first three excitonic transitions over a broad spectral range.…
First-principles methods for time-resolved angular resolved photoelectron spectroscopy play a pivotal role in providing interpretation and microscopic understanding of the complex experimental data and in exploring novel observables or…
Superconducting transition-edge sensors (TES) are extremely sensitive microcalorimeters used as photon detectors with unparalleled energy resolution. They have found application from measuring astronomical spectra through to determining the…
We develop the multi-scale ab-initio scheme for correlated electrons (MACE) for transitionmetal-oxide heterostructures, and determine the parameters of the low-energy effective model. By separating Ti t2g bands near the Fermi level from the…
We introduce a simulation framework for the transport of high and low energy electrons in xenon-based gaseous optical time projection chambers (OTPCs). The simulation relies on elementary cross sections (electron-atom and electron-molecule)…
We present the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method to simulate multielectron dynamics in ultrafast intense laser fields from the first principles. While based on multiconfiguration expansion, it…
Abrupt transitions ("tipping") in nonlinear dynamical systems are often accompanied by changes in the geometry of the attracting set, but quantifying such changes from partial and noisy observations in high-dimensional systems remains…
A simultaneously transmitting and reflecting surface (STARS) aided terahertz (THz) communication system is proposed. A novel power consumption model is proposed that depends on the type and resolution of the STARS elements. The spectral…
The Time Autocorrelation of Auxiliary Wave (TACAW) method has established a framework for modeling angle-resolved electron energy loss spectroscopy (EELS) of phonons and magnons by deriving scattering intensities from the time…
End-to-end mission performance simulators (E2ES) are suitable tools to accelerate satellite mission development from concet to deployment. One core element of these E2ES is the generation of synthetic scenes that are observed by the various…
We present a flexible and efficient ultrafast time-resolved spontaneous Raman spectroscopy setup to study collective excitation and quasi-particle dynamics in quantum matter. The setup has a broad energy tuning range extending from the…
Rare nonadiabatic events play a central role in photochemistry but remain difficult to simulate because excited-state dynamics is computationally demanding and often stochastic. Here we introduce a deterministic and time-reversible…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of current approaches, we predict the results of an upcoming…
We present results of time-series data simulation. We aimed at estimating the threshold used for detecting signals in amplitude spectra, calculated from simulating TESS photometry of up to one year duration. We selected the threshold at a…
Transition path sampling (TPS) is a powerful technique for investigating rare transitions, especially when the mechanism is unknown and one does not have access to the reaction coordinate. Straightforward application of TPS does not…
Next-generation fusion facilities like ITER face a "data deluge," generating petabytes of multi-diagnostic signals daily that challenge manual analysis. We present a "signals-first" self-supervised framework for the automated extraction of…