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Energy transfer plays a vital role in many natural and technological processes. In this work, we study the effects of mechanical motion on the excitation transfer through a chain of interacting molecules with application to biological…
We theoretically investigate the flow of the atomic excitations in a driven chiral-coupled atomic chain with nonreciprocal decay channels. This one-dimensional system allows infinite-range dipole-dipole interaction, and enables directional…
Dynamical phase transitions can occur in isolated quantum systems that are brought out of equilibrium by sudden parameter changes. We discuss the characterization of such dynamical phase transitions based on the statistics of produced…
The resonant quantum dynamics of an excited two-level emitter is investigated via classical modulation of its transition frequency while simultaneously the radiator interacts with a broadband electromagnetic field reservoir. The frequency…
We propose a quantity, ${\mathcal{A}\!\!\!/}$, as a measure describing the nonadiabaticity of a thermodynamic process. For this purpose, we use a schematic method to find the measure of the `degree of nonadiabaticity'. The method utilizes…
Exploiting vibrational excitation for the dynamic control of material properties is an attractive goal with wide-ranging technological potential. Most metal-to-insulator transitions are mediated by few structural modes and are thus ideal…
We investigate a scheme that makes a quantum non-demolition measurement of the excitation level of a mesoscopic mechanical oscillator by utilizing the anharmonic coupling between two elastic beam bending modes. The non-linear coupling…
An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…
In recent years, significant advancements in computational methods have dramatically enhanced the precision in determining the energetic ranking of different phases of molecular crystals. The developments mainly focused on providing…
This study investigates the dynamics of quantum information and computational resources using a tractable model of coupled harmonic oscillators. We precisely characterize the interplay between mutual information, synchronization, and…
The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…
We analyze the spectral properties of a very general two-channel fermion-boson transport model in the insulating and metallic regimes, and the signatures of the metal-insulator quantum phase transition in between. To this end we determine…
We formulate a general method for the study of semiclassical-like dynamics in stable regions of a mixed phase-space, in order to theoretically study the dynamics of quantum accelerator modes. In the simplest case, this involves determining…
We present the concept, derivation, and implementation of dynamical configuration interaction, a quantum embedding theory that combines Green's function methodology with the many-body wave function. In a strongly-correlated active space, we…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
We propose the algorithm for determining vibrational quantum eigenstates of periodic linear chain of atoms coupled by harmonic and third order anharmonic interactions (Fermi-Ulam-Pasta $\alpha$ problem) in the long wavelength limit within…
This study investigates the interplay between a high-frequency external forcing and the intrinsic dynamics of a quantum nonlinear parametric oscillator. To analyze this system, classical equations of motion of the averages of quantum…
The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations…
Variational Quantum Algorithms are among the most promising systems to implement quantum computing under the Noisy-Intermediate Scale Quantum (NISQ) technology. In variational quantum algorithm, wavefunction represented by a parametrized…