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In this work, we show how Gibbs or thermal states appear dynamically in closed quantum many-body systems, building on the program of dynamical typicality. We introduce a novel perturbation theorem for physically relevant weak system-bath…
Calculating sublimation enthalpies of molecular crystal polymorphs is relevant to a wide range of technological applications. However, predicting these quantities at first-principles accuracy -- even with the aid of machine learning…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
Ab initio molecular dynamics (AIMD) is a powerful tool to predict properties of molecular and condensed matter systems. The quality of this procedure is based on accurate electronic structure calculations. The development of quantum…
A recent promising arena for quantum advantage is simulating exponentially large classical systems. Here, we show how this advantage can be used to calculate the dynamics of open classical systems experiencing dissipation, including the…
The physics of crystalline membranes, i.e. fixed-connectivity surfaces embedded in three dimensions and with an extrinsic curvature term, is very rich and of great theoretical interest. To understand their behavior, numerical simulations…
Recent understanding of the thermodynamics of small-scale systems have enabled the characterization of the thermodynamic requirements of implementing quantum processes for fixed input states. Here, we extend these results to construct…
This paper is dedicated to the numerical study of the optimization of an industrial launcher integration process. It is an original case of inventory-production system where a calendar plays a crucial role. The process is modeled using the…
We study the nature of thermalization dynamics and the associated preparation (simulation) time under the repeated interaction protocol uncovering a generic anomalous, Mpemba-like trend. As a case study, we focus on a three-level system and…
We study connections between optimal transport and anomalous thermal relaxations. A prime example of anomalous thermal relaxations is the Mpemba effect, which occurs when a hot system overtakes an identical warm system and cools down…
The optimization of cooling systems is important in many cases, for example for cabin and battery cooling in electric cars. Such an optimization is governed by multiple, conflicting objectives and it is performed across a multi-dimensional…
Relaxation in open quantum systems is fundamental to quantum science and technologies. Yet, the influence of the initial state on relaxation remains a central, largely unanswered question. Here, by systematically characterizing the…
We develop a flow renormalization approach for periodically-driven quantum systems, which reveals prethermal dynamical regimes and associated timescales via direct correspondence between real time and flow time behavior. In this formalism,…
Adaptive systems -- such as a biological organism gaining survival advantage, an autonomous robot executing a functional task, or a motor protein transporting intracellular nutrients -- must model the regularities and stochasticity in their…
We study optimal control strategies to optimize the relaxation rate towards the fixed point of a quantum system in the presence of a non-Markovian dissipative bath. Contrary to naive expectations that suggest that memory effects might be…
Thermalization is the process through which a physical system evolves toward a state of thermal equilibrium. Determining whether or not a physical system will thermalize from an initial state has been a key question in condensed matter…
We characterize finite-time thermodynamic processes of multidimensional quadratic overdamped systems. Analytic expressions are provided for heat, work, and dissipation for any evolution of the system covariance matrix. The Bures-Wasserstein…
Simulating electron-nucleus coupled dynamics poses a non-trivial challenge and an important problem in the investigation of ultrafast processes involving coupled electronic and vibrational dynamics. Because irreversibility of the system…
A quantum system coupled to a bath at some fixed, finite temperature converges to its Gibbs state. This thermalization process defines a natural, physically-motivated model of quantum computation. However, whether quantum computational…
Simulating the dynamics and the non-equilibrium steady state of an open quantum system are hard computational tasks on conventional computers. For the simulation of the time evolution, several efficient quantum algorithms have recently been…