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The development of a self-consistent thermodynamic theory of quantum systems is of fundamental importance for modern physics. Still, despite its essential role in quantum science and technology, there is no unifying formalism for…
A novel method is introduced in order to treat the dissipative dynamics of quantum systems interacting with a bath of classical degrees of freedom. The method is based upon an extension of the Nos\`e-Hoover chain (constant temperature)…
While the emergent field of quantum thermodynamics has the potential to impact energy science, the performance of thermal machines is often classical. We ask whether quantum effects can boost the performance of a thermal machine to reach…
Thermodynamics of nanoscale devices is an active area of research. Despite their noisy surrounding they often produce mechanical work (e.g. micro-heat engines), display rectified Brownian motion (e.g. molecular motors). This invokes…
The theory of open quantum systems plays a fundamental role in several scientific and technological disciplines, from quantum computing and information science to molecular electronics and quantum thermodynamics. Despite its widespread…
One of the principal objectives of quantum thermodynamics is to explore quantum effects and their potential beneficial role in thermodynamic tasks like work extraction or refrigeration. So far, even though several papers have already shown…
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…
A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the…
This thesis investigates the interactions of different degrees of freedom of one joint system within the theory of stochastic thermodynamics. First, a comprehensive introduction to the subjects of stochastic processes, information theory…
We present a detailed analysis of slowly driven quantum thermal machines based on interacting qubits within the framework of the Lindblad master equation. By implementing a systematic expansion in the driving rate, we derive explicit…
The study of open quantum systems often relies on approximate master equations derived under the assumptions of weak coupling to the environment. However when the system is made of several interacting subsystems such a derivation is in many…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
Simulations are performed of a small quantum system interacting with a quantum environment. The system consists of various initial states of two harmonic oscillators coupled to give normal modes. The environment is "designed" by its level…
We have performed an extensive analysis of a single particle stochastic heat engine constructed by manipulating a Brownian particle in a time dependent harmonic potential. The cycle consists of two isothermal steps at different temperatures…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
The operation of a quantum heat engine in finite time generally faces a trade-off between efficiency and power. Using shortcuts to adiabaticity (STA), this trade off can be avoided to engineer thermal machines that operate at maximum…
Micro-to-nano scale thermal devices that operate under large thermal fluctuations, are an active field of research where instead the average values, the full distributions of thermodynamic quantities are important. Here we study a model of…
The reversible nature of thermodynamical cycles is an idealisation based on the assumption of perfect quasi-static dynamics. As a consequence of this assumption, ideal engines operate at the maximum efficiency but have zero power. Realistic…
Using the quasi-equilibrium Helmholtz energy (qHE), defined as the thermodynamic work in a quasi-static process, we investigate the thermal properties of both an isothermal process and a transition process between the adiabatic and…
Originally formulated for macroscopic machines, the laws of thermodynamics were recently shown to hold for quantum systems coupled to ideal sources of work (external classical fields) and heat (systems at equilibrium). Ongoing efforts have…