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Quantum mechanics/molecular mechanics (QM/MM) is a standard computational tool for describing chemical reactivity in systems with many degrees of freedom, including polymers, enzymes, and reacting molecules in complex solvents. However,…
An expression for the energetic efficiency of a molecular motor is presented in terms of an effective temperature, which was defined based on the ratio of the correlation function to the susceptibility of its velocity. We also present a…
By harnessing quantum phenomena, quantum devices have the potential to outperform their classical counterparts. Previous work has shown that a bosonic working medium can yield better performance than a fermionic medium. We expand upon this…
We demonstrate how to incorporate a catalyst to enhance the performance of a heat engine. Specifically, we analyze efficiency in one of the simplest engines models, which operates in only two strokes and comprises of a pair of two-level…
It is shown that quantum mechanics on noncommutative spaces (NQM) can be obtained by the canonical quantization of some underlying second class constrained system formulated in extended configuration space. It leads, in particular, to an…
We investigate the efficiency at maximum power (EMP) of irreversible quantum Carnot engines that perform finite-time cycles between two temperature tunable baths. The temperature form we adopt can be experimentally realized in squeezed…
Brownian motors, i.e. devices able to produce useful work out of thermal forces with the help of other unbiased forces, provide an ideal benchmark for the investigation of quantum dissipative systems, for two reasons. First, the interaction…
Quantum statistical mechanics is formulated as an integral over classical phase space. Some details of the commutation function for averages are discussed, as is the factorization of the symmetrization function used for the grand potential…
The system of two $Q$-deformed oscillators coupled so that the total Hamiltonian has the su$_Q$(2) symmetry is proved to be equivalent, to lowest order approximation, to a system of two identical Morse oscillators coupled by the…
We simulate the dynamics of a quantum dot coupled to the single resonating mode of a metal nano-particle. Systems like this are known as metamolecules. In this study, we consider a time-dependent driving field acting onto the metamolecule.…
Quantum Monte Carlo (QMC) is a powerful method to calculate accurate energies and forces for molecular systems. In this work, we demonstrate how we can obtain accurate QMC forces for the fluxional ethanol molecule at room temperature by…
Recently, a formal analogy between the fluctuating diffusivity and thermodynamics has been proposed based on phenomena of heterogeneous diffusion observed in living cells. This not only offers the analogs of the quantity of heat and work as…
We present a detailed study of an asymmetrically driven quantum Otto engine with a time-dependent harmonic oscillator as its working medium. We obtain analytic expressions for the upper bounds on the efficiency of the engine for two…
We consider a quantum Otto cycle with a $q$-deformed quantum oscillator working substance and classical thermal baths. We investigate the influence of the quantum statistical deformation parameter $q$ on the work and efficiency of the…
We present the Quantum Monte Carlo Integration (QMCI) engine developed by Quantinuum. It is a quantum computational tool for evaluating multi-dimensional integrals that arise in various fields of science and engineering such as finance.…
We consider a quantum Otto refrigerator cycle of a time-dependent harmonic oscillator. We investigate the coefficient of performance at maximum figure of merit for adiabatic and nonadiabatic frequency modulations. We obtain analytical…
What are the resources that can be leveraged for a thermodynamic device to exhibit genuine quantum advantage? Typically, the answer to this question is sought in quantum correlations. In the present work, we show that quantum Otto engines…
Carnot efficiency sets a fundamental upper bound on the heat engine efficiency, attainable in the quasi-static limit, albeit at the cost of completely sacrificing power output. In this Letter, we present a minimal heat engine model that can…
We study the efficiency of a simple quantum dot heat engine at maximum power. In contrast to the quasi-statically operated Carnot engine whose efficiency reaches the theoretical maximum, recent research on more realistic engines operated in…
We investigate heat engines whose working substance is made of two coupled qubits performing a generalised Otto cycle by varying their applied magnetic field or their interaction strength during the compression and expansion strokes. During…