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Temperature is a deceptively simple concept that still raises deep questions at the forefront of quantum physics research. The observation of thermalisation in completely isolated quantum systems, such as cold-atom quantum simulators,…
The recent advancement of quantum computer hardware offers the potential to simulate quantum many-body systems beyond the capability of its classical counterparts. However, most current works focus on simulating the ground-state properties…
We develop a physics-based model for classical computation based on autonomous quantum thermal machines. These machines consist of few interacting quantum bits (qubits) connected to several environments at different temperatures. Heat flows…
We study the inverse problem of deducing the dynamical characteristics (such as the potential field) of large systems from kinematic observations. We show that, for a class of steady-state systems, the solution is unique even with…
We propose a novel type of ergostats and thermostats for molecular dynamics simulations. A general class of active particle swarm models is considered, where any specific total energy (alternatively any specific temperature) can be provided…
An analytical model of unsteady heat transfer in a one-dimensional harmonic crystal is presented. A nonlocal temperature is introduced as a generalization of the kinetic temperature. A closed equation determining unsteady thermal processes…
A key open question in the glass transition field is whether a finite temperature thermodynamic transition to the glass state exists or not. Recent simulations of coupled replicas in atomistic models have found signatures of a static…
Quantum thermodynamics is a powerful theoretical tool for assessing the suitability of quantum materials as platforms for novel technologies. In particular, the modeling of quantum cycles allows us to investigate the heat changes and work…
We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local…
Combustion instabilities are particularly problematic for rocket thrust chambers because of their high energy release rates and their operation close to the structural limits. In the last decades, progress has been made in predicting high…
An exact invariant is derived for $n$-degree-of-freedom Hamiltonian systems with general time-dependent potentials. The invariant is worked out in two equivalent ways. In the first approach, we define a special {\it Ansatz\/} for the…
It is shown that a paradigm of classical statistical mechanics --- the thermalization of a Brownian particle --- has a low-dimensional, deterministic analogue: when a heavy, slow system is coupled to fast deterministic chaos, the resultant…
Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics like work, heat and entropy production to the level of individual trajectories of well-defined…
We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one…
A new Langevin-Verlet thermostat that preserves the fluctuation-dissipation relationship for discrete time steps, is applied to molecular modeling and tested against several popular suites (AMBER, GROMACS, LAMMPS) using a small molecule as…
In this note, we present a simple derivation, from time-reversal symmetry, of fluctuation relations for steady-state large deviation functions in non-equilibrium quantum systems. We further show that a condition of pure transmission implies…
We develop further the study of a system in contact with a multibath having different temperatures at widely separated timescales. We consider those systems that do not thermalize in finite times when in contact with an ordinary bath but…
A key feature of non-equilibrium thermodynamics is the Markovian, deterministic relaxation of coarse observables such as, for example, the temperature difference between two macroscopic objects which evolves independently of almost all…
Fixed-time stable dynamical systems are capable of achieving exact convergence to an equilibrium point within a fixed time that is independent of the initial conditions of the system. This property makes them highly appealing for designing…
The eigenstate thermalisation hypothesis resolves the paradox of emergent thermal or classical behaviour in a closed quantum system by focussing upon local observations. This permits the remainder of the system to act as a bath,…