Related papers: Approximating quantum thermodynamic properties usi…
We introduce an alternative way to understand the decomposition of a quantum system into interacting parts and show that it is natural in several physical models. This enables us to define a reduced density operator for a working system…
Quantum open systems evolve according to completely positive, trace preserving maps acting on the density operator, which can equivalently be unraveled in term of so-called quantum trajectories. These stochastic sequences of pure states…
Quantum thermodynamics has emerged as a central field for understanding how energy conversion processes occur in microscopic systems. In these systems, effects such as coherence, entanglement, and non-Markovianity play key roles. In this…
Continuous particle exchange thermal machines require no time-dependent driving, can be realised in solid-state electronic devices, and miniaturised to nanometre scale. Quantum dots, providing a narrow energy filter and allowing to…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Kohn-Sham density functional theory (DFT) is the workhorse of quantum chemistry, offering an attractive balance between accuracy and computational cost. Although exact in principle, DFT in practice relies on an approximation to the unknown…
Quantum complexity measures the difficulty of realizing a quantum process, such as preparing a state or implementing a unitary. We present an approach to quantifying the thermodynamic resources required to implement a process if the…
Recent works have shown that quantum computers can polynomially speed up certain SAT-solving algorithms even when the number of available qubits is significantly smaller than the number of variables. Here we generalise this approach. We…
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio molecular dynamics, and high-throughput searches for functional…
A recently developed approach to the thermodynamics of open quantum systems, on the basis of the principle of minimal dissipation, is applied to the spin-boson model. Employing a numerically exact quantum dynamical treatment based on the…
This study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at high temperatures in condensed…
Using the quantum Hamiltonian for a gravitational system with boundary, we find the partition function and derive the resulting thermodynamics. The Hamiltonian is the boundary term required by functional differentiability of the action for…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
Non-equilibrium effects may have a profound impact on the performance of thermal devices performing thermodynamic tasks such as refrigeration or heat pumping. The possibility of enhancing the performance of thermodynamic operations by means…
We investigate the multiparameter quantum estimation and quantum thermodynamics properties of a gravitational cat state (gravcat) system composed of two interacting massive particles confined in double-well potentials. The system is…
A new microcanonical equilibrium state is introduced for quantum systems with finite-dimensional state spaces. Equilibrium is characterised by a uniform distribution on a level surface of the expectation value of the Hamiltonian. The…
In this review the debated rapport between thermodynamics and quantum mechanics is addressed in the framework of the theory of periodically-driven/controlled quantum-thermodynamic machines. The basic model studied here is that of a…
Quantum chromodynamics (QCD) describes the structure of hadrons such as the proton at a fundamental level. The precision of calculations in QCD limits the precision of the values of many physical parameters extracted from collider data. For…
A state-of-the-art method that combines a quantum computational algorithm and machine learning, so-called quantum machine learning, can be a powerful approach for solving quantum many-body problems. However, the research scope in the field…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…