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Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
Plants and insects communicate using chemical signals like volatile organic compounds (VOCs). A plant encodes information using different blends of VOCs, which propagate through the air to represent different symbolic information. This…
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the stochastic Schr\"odinger equation and uses a Hamiltonian from…
We study a nonuniversal contribution to the dephasing rate of conduction electrons due to local vibrational modes. The inelastic scattering rate is strongly influenced by multiphonon excitations, exhibiting oscillatory behaviour. For higher…
Machine-learning interatomic potentials are widely used as computationally efficient surrogates for density functional theory in atomistic simulations, enabling large-scale, long-time modeling of materials systems. We investigate how…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
Understanding electron transfer in organic molecules is of great interest in quantum materials for light harvesting, energy conversion, and integration of molecules into solar cells. This, however, poses the challenge of designing specific…
Transition metal ions play crucial roles in the structure and function of numerous proteins, contributing to essential biological processes such as catalysis, electron transfer, and oxygen binding. However, accurately modeling the…
We present a method for computing angle-resolved electron-energy-loss and gain spectroscopies for phonon and magnon excitations in transmission electron microscopy. Fractional scattering intensities are derived from the…
The distribution function of electrons and phonons interacting with electrons in semiconductors and semimetals in high electric and quantizing magnetic fields as a result of the solution of the coupled system of equations for the density…
The electron-phonon interaction is of central importance for the electrical and thermal properties of solids, and its influence on superconductivity, colossal magnetoresistance, and other many-body phenomena in correlated-electron materials…
Entropy transfer in metal halide perovskites, characterized by significant lattice anharmonicity and low stiffness, underlies the remarkable properties observed in their optoelectronic applications, ranging from solar cells to lasers. The…
The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…
We consider the deformation potential mechanism of the electron-phonon coupling in metal films and investigate the intensity of the associated heat transfer between the electron and phonon subsystems. The focus is on the temperature region…
Microwave irradiation causes voltage fluctuations in solid state nanodevices. Such an effect is relevant in atomic electronics and nanostructures for quantum information processing, where charge or spin states are controlled by microwave…
We study the properties of transmissivity of a beam of atoms traversing an optical lattices loaded with ultracold atoms. The transmission properties as function of the energy of the incident particles are strongly dependent on the quantum…
Motivated by recent phonon spectroscopy experiments in the fractional quantum Hall regime we consider processes in which thermally excited magnetoroton excitations are scattered by low energy phonons. We show that such scattering processes…
Resonant energy transfer mechanisms have been observed in the sensitized luminescence of solids, in quantum dots and in molecular nanostructures, and they also play a central role in light harvesting processes in photosynthetic organisms.…
COVID-19 pandemic has strikingly demonstrated how important it is to develop fundamental knowledge related to generation, transport and inhalation of pathogen-laden droplets and their subsequent possible fate as airborne particles, or…
Calculations of tunneling matrix elements associated with electron transfer through molecular environments are usually done for given frozen nuclear configurations, assuming that nuclear motions are slow relative to the timescale of a…