Related papers: On excited state reaction path in reversibly switc…
The number of absorption and Raman optical modes for each Wyckoff orbit in the high-temperature tetragonal (I4/mmm) parent lattice of the Ruddlesden-Popper compounds Ca$_3$X$_2$O$_7$, with X=Mn or X=Ti is given. We analyze the effect of…
Characterization of protein energy landscape and conformational ensembles is important for understanding mechanisms of protein folding and function. We studied ensembles of bound and unbound conformations of six proteins to explore their…
The statistics photons in the resonance fluorescence of a qubit excited by microwave and radio-frequency (RF) fields have been studied. It has been established that the coherent dissipative dynamics of the qubit with allowance for…
The primary step in the elusive ability of migratory birds to sense weak Earth-strength magnetic fields is supposedly the light-induced formation of a long-lived, magnetically sensitive radical pair inside a cryptochrome flavoprotein…
We simulate the light variability of the Ap star epsUMa using the observed surface distributions of Fe, Cr, Ca, Mn, Mg, Sr and Ti obtained with the help of Doppler Imaging technique. Using all photometric data available we specified light…
Quasar absorption spectra at 21-cm and UV rest-wavelengths are used to estimate the time variation of x=alpha^2 g_p mu, where alpha is the fine structure constant, g_p the proton g factor, and m_e/m_p=mu the electron/proton mass ratio. Over…
Spectroscopic properties of molecules holds great importance for the description of the molecular response under the effect of an UV/Vis electromagnetic radiation. Computationally expensive ab initio (e.g. MultiConfigurational SCF, Coupled…
We introduce a machine learning approach for extracting fine-grained representations of protein evolution from molecular dynamics datasets. Metastable switching linear dynamical systems extend standard switching models with a…
In many biological applications, we would like to be able to computationally predict mutational effects on affinity in protein-protein interactions. However, many commonly used methods to predict these effects perform poorly in important…
We study the evolution of a V-type three-level system, whose two resonances are coherently excited and coupled by two ultrashort laser pump and probe pulses, separated by a varying time delay. We relate the quantum dynamics of the excited…
Accretion-powered X-ray pulsars exhibit significant variability of the Cyclotron Resonance Scattering Feature (CRSF) centroid energy on pulse-to-pulse timescales, and also on much longer timescales. Two types of spectral variability are…
We study an inverse problem for Light Sheet Fluorescence Microscopy (LSFM), where the density of fluorescent molecules needs to be reconstructed. Our first step is to present a mathematical model to describe the measurements obtained by an…
The back-focal plane (BFP) of a high-numerical aperture objective contains the fluoro-phore radiation pattern, which encodes information about the axial fluorophore position, molecular orientation and the local refractive index of the…
We present a polarizable embedding quantum mechanics/molecular mechanics (QM/MM) framework for ground- and excited-state Complete Active Space Self-Consistent Field (CASSCF) calculations on molecules within complex environments, such as…
Over the last decade, there has been a growing body of experimental work showing that proteins devoid of aromatic and conjugated groups can absorb light in the near-UV beyond 300 nm and emit visible light. Understanding the origins of this…
A rather simple method is used to detect at once both optical absorption spectra and excited-states nonradiative transitions in 0,03 at ${%}$ and 0,16 at ${%}$ ruby at temperature 2 K. The technique utilizes a time-resolved bolometer…
The random motion of molecules in living cells has consistently been reported to deviate from standard Brownian motion, a behavior coined as ``anomalous diffusion''. Fluorescence Correlation Spectroscopy (FCS) is a powerful method to…
We study anisotropic (patchy) screening induced by the resonant conversion of cosmic microwave background (CMB) photons into dark-sector massive vector bosons (dark photons) as they cross non-linear large scale structure (LSS). Resonant…
Cryptochrome flavoproteins are prime candidates for mediating magnetic sensing in migratory animals via the radical pair mechanism (RPM), a spin-dependent process initiated by photoinduced electron transfer. The canonical FAD-tryptophan…
We propose quantum receivers with optical squeezing and photon-number-resolving detector (PNRD) for the near-optimal discrimination of quaternary phase-shift-keyed coherent state signals. The basic scheme is similar to the previous…