Related papers: On excited state reaction path in reversibly switc…
Phototrophic organisms such as plants, photosynthetic bacteria and algae use microscopic complexes of pigment molecules to absorb sunlight. Within the light-harvesting complexes, which frequently have several functional and structural…
The application of surface plasmon resonance (SPR) has transformed the field of study of interactions between a ligand immobilized on the surface of a sensor chip, designated as $L_S$, and an analyte in solution, referred to as $A$. This…
Absorption-line systems detected in high resolution quasar spectra can be used to compare the value of dimensionless fundamental constants such as the fine-structure constant, alpha, and the proton-to-electron mass ratio, mu = m_p/m_e, as…
We investigate the isospin transport with 40,48 Ca+ 40,48 Ca reactions at 35 MeV/nucleon, measured with the coupling of the VAMOS high acceptance spectrometer and the INDRA charged particle multidetector. Using the quasi-projectile remnant…
The luminescence of fifteen representative Eu$^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. Transition energies and Stokes shift are deduced from…
This analysis begins to explore the complex chromosphere-corona mass cycle using a blend of imaging and spectroscopic diagnostics. Single Gaussian fits to hot emission line profiles (formed above 1MK) at the base of coronal loop structures…
Recent advances in computational power and simulation programs finally delivered the first examples of reversible folding for small proteins with an all-atom description. But having at hand the atomistic details of the process did not lead…
Many types of peripheral and transmembrane proteins can sense and generate membrane curvature. Laterally isotropic proteins and crescent proteins with twofold rotational symmetry, such as Bin/Amphiphysin/Rvs superfamily proteins, have been…
Due to the time-scale limitations of all-atom simulation of proteins, there has been substantial interest in coarse-grained approaches. Some methods, like "Resolution Exchange," [E. Lyman et al., Phys. Rev. Lett. 96, 028105 (2006)] can…
The development of variational density functional theory approaches to excited electronic states is impeded by limitations of the commonly used self-consistent field (SCF) procedure. A method based on a direct optimization approach as well…
This paper presents a systematic study on developing multi-template machine learning (ML) surrogate models and applying them to the inverse design of transformers (XFMRs) in radio-frequency integrated circuits (RFICs). Our study starts with…
Anomalous diffusion, in particular subdiffusion, is frequently invoked as a mechanism of motion in dense biological media, and may have a significant impact on the kinetics of binding/unbinding events at the cellular level. In this work we…
This work presents a switchable frequency-selective rasorber (SFSR) with two operating modes. Switching from transmission to reflection can be achieved by appropriately adding feeders and PIN diodes based on cascaded two-dimensional lossy…
Statistical properties of Fano resonances occurring in photoabsorption to highly excited atomic or molecular states are derived. The situation with one open and one closed channel is analyzed when the classical motion of the excited complex…
We investigate conductance and conductance fluctuations of two transmembrane proteins, bacteriorhodopsin and proteorhodopsin, belonging to the family of protein light receptors. These proteins are widely diffused in aqueous environments,…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
We undertake a quantitative comparison of multi-fragmentation reactions, as modeled by two different approaches: the Antisymmetrized Molecular Dynamics (AMD) and the momentum-dependent stochastic mean-field (SMF) model. Fragment observables…
The optical response of (InGa)(AsSb)/GaAs quantum dots (QDs) grown on GaP (001) substrates is studied by means of excitation and temperature-dependent photoluminescence (PL), and it is related to their complex electronic structure. Such QDs…
Photosensitive proteins embedded in the cell membrane (about 5 nm thickness) act as photoactivated proton pumps, ion gates, enzymes, or more generally, as initiators of stimuli for the cell activity. They are composed of a protein backbone…
Allosteric transcription factors undergo binding events both at their inducer binding sites as well as at distinct DNA binding domains, and it is often difficult to disentangle the structural and functional consequences of these two classes…