Related papers: QD3SET-1: A Database with Quantum Dissipative Dyna…
The unavoidable coupling of quantum systems to external degrees of freedom leads to dissipative (non-unitary) dynamics, which can be radically different from closed-system scenarios. Such open quantum system dynamics is generally described…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…
In experimentally realistic situations, quantum systems are never perfectly isolated and the coupling to their environment needs to be taken into account. Often, the effect of the environment can be well approximated by a Markovian master…
Understanding dissipation in open quantum systems is crucial for the development of robust quantum technologies. In this work, we introduce a Transformer-based machine learning framework to infer time-dependent dissipation rates in quantum…
We have simulated the formation and evolution of large-scale structure in the universe, for 68 different COBE-normalized cosmological models. For each cosmological model, we have performed between 1 and 3 simulations, for a total of 160…
Quantum states in complex aggregates are unavoidably affected by environmental effects, which typically cannot be accurately modeled by simple Markovian processes. As system sizes scale up, nonperturbative simulation become thus unavoidable…
The unique capability of quantum mechanics to evolve alternative possibilities in parallel is appealing and over the years a number of quantum algorithms have been developed offering great computational benefits. Systems coupled to the…
Quantum simulators have made a remarkable progress towards exploring the dynamics of many-body systems, many of which offer a formidable challenge to both theoretical and numerical methods. While state-of-the-art quantum simulators are in…
Generative models for quantum data pose significant challenges but hold immense potential in fields such as chemoinformatics and quantum physics. Quantum denoising diffusion probabilistic models (QuDDPMs) enable efficient learning of…
Recent advances in machine learning force fields (MLFFs) are revolutionizing molecular simulations by bridging the gap between quantum-mechanical (QM) accuracy and the computational efficiency of mechanistic potentials. However, the…
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…
We provide a systematic framework for constructing generic models of nonequilibrium quantum dynamics with a target stationary (mixed) state. Our framework identifies (almost) all combinations of Hamiltonian and dissipative dynamics that…
Machine learning has emerged as a promising paradigm to study the quantum dissipative dynamics of open quantum systems. To facilitate the use of our recently published ML-based approaches for quantum dissipative dynamics, here we present an…
We present a unitary framework for dissipative quantum dynamics that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators that emulate frictional forces while strictly preserving the…
Quantum Extreme Learning Machine (QELM) is an emerging hybrid quantum machine learning framework that leverages quantum system dynamics to enhance classical models. However, QELM can suffer from the exponential concentration problem, where…
While traditionally regarded as an obstacle to quantum coherence, recent breakthroughs in quantum optics have shown that the dissipative interaction of a qubit with its environment can be leveraged to protect quantum states and synthesize…
A precise understanding of the influence of a quantum system's environment on its dynamics, which is at the heart of the theory of open quantum systems, is crucial for further progress in the development of controllable large-scale quantum…
The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…
Recent advances in quantum simulators permit unitary evolution interspersed with locally resolved mid-circuit measurements. This paves the way for the observation of large-scale space-time structures in quantum trajectories and opens a…