Related papers: A Journey with THeSeuSS: Automated Python Tool for…
Vibrational spectroscopy is a ubiquitous technology that derives the species, constituents, and morphology of an object from its natural vibrations. However, the vibrational spectra of mesoscopic particles - including most biological cells…
Accurate vibrational spectra are essential for understanding how molecules behave, yet their computation remains challenging and benchmark data to reliably compare different methods are sparse. Here, we present high-accuracy eigenstate…
We present a practical method to compute the vibrational resonant Raman spectra in solids with delocalized excitations. We apply this approach to the study of tetrahedrous amorphous carbon. We determine the vibrational eigenmodes and…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Infrared vibrational spectroscopy in the gas phase has emerged as a powerful tool to determine complex molecular structures with Angstrom accuracy. Among the different approaches IRMPD (InfraRed Multiple Photon Dissociation), which requires…
SpectraPlot is a web-based application for simulating spectra of atomic and molecular gases. At the time this manuscript was written, SpectraPlot consisted of four primary tools for calculating: 1) atomic and molecular absorption spectra,…
We describe a new software package for simulating channelised, high-time resolution data streams from radio telescopes. The software simulates data from the telescope and observing system taking into account the observation strategy,…
The Total Internal Reflection Ultrasonic Sensor (TIRUS) is a device especially aimed at detecting subsurface flaws in a tested specimen based on the frustrated total internal reflection of bulk ultrasonic waves in the sensor body [1]. In…
Structural health monitoring plays a critical role in ensuring structural safety by analyzing vibration responses from engineering systems. This paper proposes a Spectro-Temporal Alignment framework and a Hybrid Spectro-Temporal Fusion…
Modern astronomical surveys have multiple competing scientific goals. Optimizing the observation schedule for these goals presents significant computational and theoretical challenges, and state-of-the-art methods rely on expensive human…
Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…
Intraoperative ultrasound imaging is used to facilitate safe brain tumour resection. However, due to challenges with image interpretation and the physical scanning, this tool has yet to achieve widespread adoption in neurosurgery. In this…
Transition-edge sensors (TESs) are capable of highly accurate single particle energy measurement. TESs have been used for a wide range of photon detection applications, particularly in astronomy, but very little consideration has been given…
To obtain the best possible scientific result, astronomers must understand the properties of the available instrumentation well. This is important both when designing new instruments and when using existing instruments close to the limits…
We present a simple experiment that allows advanced undergraduates to learn the principles and applications of spectroscopy. The technique, known as acoustic resonance spectroscopy, is applied to study a vibrating rod. The setup includes…
We show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy axis and apply a matched filter on that…
Nonlinear spectroscopy provides a unique perspective to understand time-resolved molecular dynamics under vibrational strong coupling (VSC). Herein, equilibrium-nonequilibrium cavity molecular dynamics simulations are performed to compute…
Vibrational-encoded fluorescence spectro-microscopies are emerging as powerful tools for studying molecular vibrations with the unparalleled sensitivity of fluorescence spectroscopy. We recently described one such technique, termed…
Tip-enhanced Raman scattering (TERS) has emerged as a powerful tool to obtain subnanometer spatial resolution fingerprints of atomic motion. Theoretical calculations that can simulate the Raman scattering process and provide an unambiguous…
This paper presents an improved tactile sensor using a piezoelectric bimorph able to differentiate soft materials with similar mechanical characteristics. The final aim is to develop intelligent surgical tools for brain tumour resection…