Related papers: Quantum nuclear motion in silicene: Assessing stru…
Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…
The study of quantum coherence in condensed matter systems is a broad avenue to be explored toward the enhancement of its quantum properties by means of material engineering. In this regard, the present work reports a study of the influence…
The coupling of electronic and nuclear motion in polyatomic molecules is at the heart of attochemistry. The molecular properties, transient structures and reaction mechanism of these many-body quantum objects are defined on the level of…
Entanglement and quantum discord for a pair of nuclear spins $s=1/2$ in a nanopore filled with a gas of spin-carrying molecules (atoms) are studied. The correlation functions describing dynamics of dipolar coupled spins in a nanopore are…
We analyze the behavior of a gas of classical particles moving in a two-dimensional "nuclear" billiard whose multipole-deformed walls undergo periodic shape oscillations. We demonstrate that a single particle Hamiltonian containing coupling…
We investigate the influence of quantum effects on the dielectric and piezoelectric properties of barium titanate in its (low-temperature) rhombohedral phase, and show the strongly anharmonic character of this system even at low…
The thermalization of an isolated quantum system is described by quantum mechanics and thermodynamics, while these two subjects are still not fully consistent with each other. This leaves a less-explored region where both quantum and…
Quantum information processing often uses systems with dipolar interactions. We use a nuclear spin-based quantum simulator, to study the spreading of information in such a dipolar-coupled system and how perturbations to the dipolar…
Modern semiconductor applications demand precise laser processing at the nanometer scale, requiring a detailed understanding of phase transitions and structural modifications. Accurate control over laser-induced processes in semiconductors…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We present the first calculation of quantum electrodynamics (QED) nuclear medium effects under the experimental conditions of future Electron-Ion Collider (EIC) experiments. Our work offers numerical estimates, particularly in the context…
Isospin transport occurring within dinuclear projectile-like fragments (PLFs) produced in heavy- ion collisions is explored as a probe of the nuclear symmetry energy. Within the framework of the Constrained Molecular Dynamics model (CoMD),…
This study investigates the potential impact of intramolecular excitations on the active regions of biomolecular chains, which may play a role in physiological processes within living cells. We assumed that an excitation localized in a…
We investigate the implications of decoherence induced by quantum spacetime properties on neutrino oscillation phenomena. We develop a general formalism where the evolution of neutrinos is governed by a Lindblad-type equation and we compute…
We describe the decoherence process induced on a two-level quantum system in direct interaction with a non-equilibrium environment. The non-equilibrium feature is represented by a non-stationary random function corresponding to the…
Jamming is a geometric phase transition occurring in dense particle systems in the absence of temperature. We use computer simulations to analyse the effect of thermal fluctuations on several signatures of the transition. We show that…
Quantum Chromodynamics and Quantum Electrodynamics, both renormalizable quantum field theories with a small number of precisely constrained input parameters, dominate the dynamics of the quarks and gluons - the underlying building blocks of…
Dimensionless ratios characterizing many-body systems are a powerful tool to reveal the main universal quantities involved. The recently-introduced localisation parameter allow to study the occurrence of crystal, clusterisation, and quantum…
We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…