Related papers: A Large-scale Approach to Modelling Molecular Bios…
Spherical harmonics (SH) have been extensively used as a basis for analyzing the morphology of particles in granular mechanics. The use of SH is facilitated by mapping the particle coordinates onto a unit sphere, in practice often a…
Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications. The primary window into the composition of small molecule…
In this work, we irradiate a superconducting artificial molecule composed of two coupled tunable transmons with microwave light while monitoring its state via joint dispersive readout. Performing high-power spectroscopy, we observe and…
In this paper, we present an optical computing method for string data alignment applicable to genome information analysis. By applying moire technique to spatial encoding patterns of deoxyribonucleic acid (DNA) sequences, association…
Accurate and comprehensive diatomic molecular spectroscopic data have long been vital in a wide variety of applications for measuring and monitoring astrophysical, industrial and other gaseous environments. These data are also used…
Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational, vibrational temperatures and densities of the investigated radiative…
Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…
This paper describes the performance of the LABDOS01, a silicon diode-based spectrometer suitable for dose measurements in mixed radiation fields. The instrument is currently being used in two high-altitude environmental dose monitoring…
The plethora of spectra of OB-type stars in observatory archives and the much larger numbers to come from the WEAVE and 4MOST spectroscopic facilities require efficient, but also accurate and precise methods for (semi)automatic quantitative…
Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop…
Microresonator-based degenerate optical parametric oscillation (DOPO) has recently been explored as a compelling platform for all-optical computing and quantum information applications, such as truly random number generation and the…
Computational predictions of mass spectra from molecules have enabled the discovery of clinically relevant metabolites. However, such predictive tools are still limited as they occupy one of two extremes, either operating (a) by fragmenting…
Shotgun proteomics is a high-throughput technology used to identify unknown proteins in a complex mixture. At the heart of this process is a prediction task, the spectrum identification problem, in which each fragmentation spectrum produced…
Strain gradient theory is an accurate model for capturing the size effect and localization phenomena. However, the challenge in identification of corresponding constitutive parameters limits the practical application of the theory. We…
We study the large amplitude response of classical molecules to electromagnetic radiation, showing the universality of the transition from the linear to nonlinear response and brakeup at sufficiently large amplitudes. A range of models,…
We have recently seen the first plausible claims for quantum advantage using sampling problems such as random circuit sampling and Gaussian boson sampling. The obvious next step is to channel the potential quantum advantage to solving…
Simulating vibronic spectra is a central task in physical chemistry, offering insight into important properties of molecules. Recently, it has been experimentally demonstrated that photonic platforms based on Gaussian boson sampling (GBS)…
Vibrational spectroscopy provides a powerful connection between molecular dynamics (MD) simulations and experiment, but its routine use in condensed-phase systems remains limited. We introduce mimyria, a modular and automated framework that…
The highly energetic photons of ultraviolet light drive electronic and rovibronic transitions in all molecular species. This radiation is thus a prime tool for strongly selective spectroscopic fingerprinting and real-time environmental…
Originating from the weak interaction, parity violation in chiral molecules has been considered as a possible origin of the biohomochirality. It was predicted in 1974 but has never been observed so far. Parity violation should lead to a…