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We present the first quantum-centric simulations of noncovalent interactions using a supramolecular approach. We simulate the potential energy surfaces (PES) of the water and methane dimers, featuring hydrophilic and hydrophobic…
Quantum many-body scars break ergodicity and evade thermalization, resulting in sub-volume law entanglement entropy even with high energy density. While their quantum correlations and entanglement have been elaborated previously, their…
We investigate the spin-boson model's dynamical and thermodynamic features in the weak coupling regime using the weak coupling spin-boson (WCSB) and phase covariant (PC) master equations. Both unital (pure dephasing) and non-unital…
Coherence is an inherently quantum property that deeply affects microscopic processes, including thermalization phenomena. A striking example is the quantum Mpemba effect (QME), in which a system can exhibit anomalous relaxation,…
Within quantum thermodynamics, many tasks are modelled by processes that require work sources represented by out-of-equilibrium quantum systems, often dubbed quantum batteries, in which work can be deposited or from which work can be…
This study investigates the role of EPR steering in characterizing the energy dynamics of quantum batteries (QBs) within \textcolor{black}{a charging system that features shared reservoirs. After optimizing parameter configurations to…
There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can…
Coulomb coupled quantum dot arrays with staircase ground state configuration have been proposed in literature for enhancing heat-harvesting and refrigeration performance. However, due to their mutual Coulomb interaction, a performance…
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classical algorithms offer a potential route to overcome these…
We consider the dissipative charging process of quantum batteries in terms of a collisional model, where the batteries are coupled to a heat bath using non-energy preserving interactions. First, we show that for low temperatures the…
While the spatial arrangement of individual units is essential for the physical implementation of quantum batteries, geometry-dependent interactions are rarely explicitly incorporated into existing theoretical models. To address this, we…
Quantum batteries (QBs) exploit principles of quantum mechanics to accelerate the charging process and aim to achieve optimal energy storage. However, analytical results for investigating these problems remain lacking due to the challenges…
Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole moments are calculated along the dissociation curves for…
We present a new perspective on thermal and quantum phase transitions (QPT) in $(2+1)$-dimensional quantum chromodynamics based on symmetries, topology, and quantum dynamical structure of the baryon ground state in the large $N_c$ limit for…
Coupling with an external environment inevitably affects the dynamics of a quantum system. Here, we consider how charging performances of a quantum battery, modelled as a two level system, are influenced by the presence of an Ohmic thermal…
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics macroscopic physical properties in systems such as solids…
Energy storage is a basic physical process with many applications. When considering this task at the quantum scale, it becomes important to optimise the non-equilibrium dynamics of energy transfer to the storage device or battery. Here, we…
Quantum work capacitances and maximal asymptotic work/energy ratios are figures of merit characterizing the robustness against noise of work extraction processes in quantum batteries formed by collections of quantum systems. In this paper…
Energy dissipation, typically considered an undesirable process, has recently been shown to be harnessed as a resource to optimize the performance of a quantum battery. Following this perspective, we introduce a novel technique of charging…