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Multi-spectral computed tomography is an emerging technology for the non-destructive identification of object materials and the study of their physical properties. Applications of this technology can be found in various scientific and…
High harmonic generation in the interaction of femtosecond lasers with atoms and molecules opens the path to molecular orbital tomography and to probe the electronic dynamics with attosecond-{\AA}ngstr\"{o}m resolutions. Molecular orbital…
One of the essential goals of molecular spectroscopy is to measure all fundamental molecular vibrations simultaneously. To this end, one needs to measure broadband infrared (IR) absorption and Raman scattering spectra, which provide…
Spectral analysis is one of the most powerful technologies for studying and understanding matter. As the devices for spectral analysis, spectrometers are widely used in material detection, isotope analysis, trace gas detection, and the…
High resolution and fast detection of molecular vibrational absorption is important for organic synthesis, pharmaceutical process and environmental monitoring, and is enabled by mid-infrared (mid-IR) laser frequency combs via dual-comb…
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or…
Photoelectron circular dichroism (PECD) is a highly sensitive enantiospecific spectroscopy for studying chiral molecules in the gas phase using either single-photon ionization or multiphoton ionization. In the short pulse limit investigated…
Improving resolution and sensitivity will widen possible medical applications of magnetic particle imaging. Pulsed excitation promises such benefits, at the cost of more complex hardware solutions and restrictions on drive field amplitude…
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…
We report on a Surface-Plasmon-Resonance (SPR) technique based on Fourier -Transform - Infra - Red (FTIR) spectrometer. In contrast to the conventional surface plasmon technique, operating at a fixed wavelength and a variable angle of…
The turn of the millennium has seen a growing interest in the study of live cells by infrared (IR) spectroscopy, driven by the versatility, wealth of molecular information, and potential for high-throughput screening of the technique.…
Nonlinear THz-THz-Raman (TTR) liquid spectroscopy offers new possibilities for studying and understanding condensed-phase chemical dynamics. Although TTR spectra carry rich information about the systems under study, the response is encoded…
Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…
In recent years, machine learning (ML) surrogate models have emerged as an indispensable tool to accelerate simulations of physical and chemical processes. However, there is still a lack of ML models that can accurately predict molecular…
Due to its element- and site-specificity, inner-shell photoelectron spectroscopy is a widely used technique to probe the chemical structure of matter. Here we show that time-resolved inner-shell photoelectron spectroscopy can be employed to…
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…
Interferometric measurements of high-harmonics induced by multiple laser fields in an emerging field of research that promises optimized yield of harmonics, and time and space-resolved nonlinear spectroscopy. Most of the measurements have…
Controlling bond breaking is a long-standing goal in molecular physics. Infrared nanocavities are currently being developed for reaching exotic coupling regimes of cavity QED with a few molecules, but it is not well understood how chemical…
Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these…
Multi-parametric magnetic resonance (MR) imaging is an indispensable tool in the clinic. Consequently, automatic volume-of-interest segmentation based on multi-parametric MR imaging is crucial for computer-aided disease diagnosis, treatment…