Related papers: Two-dimensional electronic spectroscopy from first…
Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…
Two-dimensional spectroscopy is discussed for open quantum systems with multiple simultaneously measurable fluxes. In particular, we discuss a junction where optical measurements of photon flux are complemented with simultaneous transport…
Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…
Using the Monte Carlo ray tracing package McStas, we illustrate the possibilities of creating virtual experiments of the neutron spectrometer BIFROST at the European Spallation Source, ESS. With this model, we are able to benchmark BIFROST…
To advance hierarchial equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg--Schrodinger scheme with block-matrix implementation on efficient evaluation of nonlinear optical response…
Second-order structure functions and power spectral densities are popular tools in the study of statistical properties across scales, particularly for the analysis of turbulent flows. Although intimately related, analyses primarily use one…
Widely employed Near-Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy probes a system by excitation of core electrons to unoccupied states. A variety of different methodologies are available to simulate corresponding spectra from…
Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic…
The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger…
A new energy and enstrophy conserving scheme is evaluated using a suite of test cases over the global spherical domain or bounded domains. The evaluation is organized around a set of pre-defined properties: accuracy of individual opeartors,…
Advanced computational tools that describe the interaction of electrons with structured nanophotonic materials are crucial for theoretical predictions, specific design tasks, and the interpretation of experimental results. These tools open…
We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe$_2$. Raman intensities are computed entirely from first principles by calculating finite differences of the dielectric…
The Diffusion Map is a nonlinear dimensionality reduction technique used to analyze high-dimensional data, with recent applications extending to datasets from the social sciences. Previous research has given little attention to how the…
Inversion codes are numerical tools used for the inference of physical properties from the observations. Despite their success, the quality of current spectropolarimetric observations and those expected in the near future presents a…
The last decade has witnessed a rapid advancement in laser technology, enabling the direct monitoring and control of electronic motion on its natural attosecond to sub-femtosecond timescales. Ultrafast processes are conventionally studied…
We present a few recent developments in the field of electron backscatter diffraction (EBSD). We highlight how open source algorithms and open data formats can be used to rapidly to develop microstructural insight of materials. We include…
By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…
Two-photon excitation spectroscopy is a nonlinear technique that has gained rapidly in interest and significance for studying the complex energy-level structure and transition probabilities of materials. While the conventional spectroscopy…
This work proposes a deep learning (DL)-based framework, namely Sim2Real, for spectral signal reconstruction in reconstructive spectroscopy, focusing on efficient data sampling and fast inference time. The work focuses on the challenge of…
We present a novel probabilistic programming framework that couples directly to existing large-scale simulators through a cross-platform probabilistic execution protocol, which allows general-purpose inference engines to record and control…