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Kirkwood-Buff integrals (KBI) connect the microscopic structure and thermodynamic properties of liquid solutions. KBI are defined in the grand canonical ensemble and evaluated assuming the thermodynamic limit (TL). In order to reconcile…
We present a maximum entropy approach to analyze the internal dynamics of a small system in contact with a large bath e.g. a solute-solvent system. For the small solute, the fluctuations around the mean values of observables are not…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Particles produced in high energy collisions that are charged under one of the fundamental forces will radiate proportionally to their charge, such as photon radiation from electrons in quantum electrodynamics. At sufficiently high…
Non-equilibrium thermodynamics and quantum information theory are interrelated research fields witnessing an increasing interest, both theoretical and experimental. This is manly due to the broadness of these theories, which found…
It is known that solutions of Richardson equations can be represented as stationary points of the "energy" of classical free charges on the plane. We suggest to consider "probabilities" of the system of charges to occupy certain states in…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…
Similarly to the derivation of the Gibbs-Boltzmann distribution for structureless indistinguishable particles, we consider multi-particle systems some of which are contained (or delimited) inside others (Problem 1), as well as systems of…
Many quantum algorithms involve the evaluation of expectation values. Optimal strategies for estimating a single expectation value are known, requiring a number of state preparations that scales with the target error $\varepsilon$ as…
In this paper, we construct a type of interacting particle systems to approximate a class of stochastic different equations whose coefficients depend on the conditional probability distributions of the processes given partial observations.…
We present a rigorous approach, based on the concept of continuous thermomajorisation, to algorithmically characterise the full set of energy occupations of a quantum system accessible from a given initial state through weak interactions…
Small quantum systems non-weakly coupled to a bath become in the quantum regime surrounded by a cloud of photons or phonons, which modifies their thermodynamic behavior. Exactly solvable examples are the Brownian motion of a quantum…
Entanglement patterns reveal essential information on many-body states and provide a way to classify quantum phases of matter. However, experimental studies of many-body entanglement remain scarce due to their unscalable nature. The present…
We present a simple classification of the different liquid and solid phases of quantum Hall systems in the limit where the Coulomb interaction between the electrons is significant, i.e. away from integral filling factors. This…
This work continues the investigation in two recent papers on the quantum thermodynamics of spacetimes, 1) placing what was studied in [1] for thermal quantum fields in the context of early universe cosmology, and 2) extending the…
We investigate quantum inspired algorithms to compute physical observables of quantum many-body systems at finite energies. They are based on the quantum algorithms proposed in [Lu et al. PRX Quantum 2, 020321 (2021)], which use the quantum…
The exploration of potential energy operators in quantum systems holds paramount significance, offering profound insights into atomic behaviour, defining interactions, and enabling precise prediction of molecular dynamics. By embracing the…
We present a method to search low energy configurations of polar molecules in the complex potential energy surfaces associated with dense fluids. The search is done in the configurational space of the translational and rotational degrees of…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
We study the statistical properties of two hard spheres in a two dimensional rectangular box. In this system, the relation like Van der Waals equation loop is obtained between the width of the box and the pressure working on side walls. The…