Related papers: Ultra-fast Spectroscopy for High-Throughput and In…
Pathologies associated with calcified tissue, such as osteoporosis, demand in vivo and/or in situ spectroscopic analysis to assess the role of chemical substitutions in the inorganic component. High energy X-ray or NMR spectroscopies are…
Quantum entanglement has emerged as a great resource for interactions between molecules and radiation. We propose a new paradigm of stimulated Raman scattering with entangled photons. A quantum ultrafast Raman spectroscopy is developed for…
Chemical imaging provides information about the distribution of chemicals within a target. When combined with structural information about the target, in situ chemical imaging opens the door to applications ranging from tissue…
In this work, non-destructive virtual diagnostics are applied to retrieve the electron beam time of arrival and energy in a relativistic ultrafast electron diffraction (UED) beamline using independently-measured machine parameters. This…
Ultrasound imaging is challenging to interpret due to non-uniform intensities, low contrast, and inherent artifacts, necessitating extensive training for non-specialists. Advanced representation with clear tissue structure separation could…
We propose a fast and non-destructive spectroscopic method for single molecular ions that implements quantum logic schemes between an atomic ion and the molecular ion of interest. Our proposal relies on a hybrid coherent manipulation of the…
Predictive simulation of vibrational spectra of complex condensed-phase and interface systems with thousands of degrees of freedom has long been a challenging task of modern condensed matter theory. In this work, fourth-generation…
Hyperspectral imaging provides spatially resolved spectral information. Utilising dual frequency combs as active illumination sources, hyperspectral imaging with ultra-high spectral resolution can be implemented in a scan-free manner when a…
Precision spectroscopy has been the driving force for progress of our physical understanding and still is a promising tool for the investigation of new physics. Molecules offer transitions which allow tests that are not possible in atomic…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
Ultrafast spectroscopy of molecular systems is fundamentally constrained by the Fourier uncertainty principle: high temporal resolution smears out electronic state signatures, while high spectral resolution obscures dynamic information.…
We use the phenomenon of electromagnetically-induced transparency in a three-level atomic system for hyperfine spectroscopy of upper states that are not directly coupled to the ground state. The three levels form a ladder system: the probe…
We outline a novel numerical method, called Ultrafast Ultrafast (UF$^2$), for calculating the $n^\text{th}$-order wavepackets required for calculating n-wave mixing signals. The method is simple to implement, and we demonstrate that it is…
The efficient simulation of quantum systems is a primary motivating factor for developing controllable quantum machines. For addressing systems with underlying bosonic structure, it is advantageous to utilize a naturally bosonic platform.…
The advent of ultrafast pulsed X-ray free-electron lasers with very high brightness has enabled the determination of transient molecular structures of small and medium-sized organic molecules in excited states and undergoing chemical…
Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical…
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…
Spectroscopic mapping refers to the massive recording of spectra whilst varying an additional degree of freedom, such as: magnetic field, location, temperature, or charge carrier concentration. As this involves two serial tasks,…
Infrared (IR) spectroscopy can be used as an important and effective tool for probing periodic networks of quantum wires or nanotubes (quantum crossbars, QCB) at finite frequencies far from the Luttinger liquid fixed point. Plasmon…
A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…