相关论文: MPSDynamics.jl: Tensor network simulations for fin…
Predicting the degradation processes of molecules over long timescales is a key aspect of industrial materials design. However, it is made computationally challenging by the need to construct large networks of chemical reactions that are…
The rapid development of quantum computers has enabled demonstrations of quantum advantages on various tasks. However, real quantum systems are always dissipative due to their inevitable interaction with the environment, and the resulting…
We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…
Quantum computing offers promising new avenues for tackling the long-standing challenge of simulating the quantum dynamics of complex chemical systems, particularly open quantum systems coupled to external baths. However, simulating such…
The Matsubara Green's function formalism stands as a powerful technique for computing the thermodynamic characteristics of interacting quantum many-particle systems at finite temperatures. In this manuscript, our focus centers on…
The dynamics of open quantum systems (i.e., of quantum systems interacting with an uncontrolled environment) forms the basis of numerous active areas of research from quantum thermodynamics to quantum computing. One approach to modeling…
Many dynamical systems consist of multiple, co-evolving subsystems (degrees of freedom). These subsystems often depend upon each other in a way that restricts the overall system's dynamics. How does this network of dependencies affect the…
Non-Markovian effects are important in modeling the behavior of open quantum systems arising in solid-state physics, quantum optics as well as in study of biological and chemical systems. The non-Markovian environment is often approximated…
We propose an improved scheme to do the time dependent variational principle (TDVP) in finite matrix product states (MPS) for two-dimensional systems or one-dimensional systems with long range interactions. We present a method to represent…
We consider Markovian open quantum systems subject to stochastic resetting, which means that the dissipative time evolution is reset at randomly distributed times to the initial state. We show that the ensuing dynamics is non-Markovian and…
Since precisely controlling dissipation in realistic environments is challenging, digital simulation of the Lindblad master equation (LME) is of great significance for understanding nonequilibrium dynamics in open quantum systems. However,…
We present \texttt{MathOptAI.jl}, an open-source Julia library for embedding trained machine learning predictors into a JuMP model. \texttt{MathOptAI.jl} can embed a wide variety of neural networks, decision trees, and Gaussian Processes…
The Lindblad equation determines the time evolution of the density operator of open quantum systems. While valid for any system size, its use is, in practice, restricted to prototype/surrogate models with the aim of tackling specific…
It is shown that the exact dynamics of a composite quantum system can be represented through a pair of product states which evolve according to a Markovian random jump process. This representation is used to design a general Monte Carlo…
Quantum computing has attracted the attention of the scientific community in the past few decades. However, despite some relevant advantages, near-term quantum devices remain severely limited by thermal effects, which induce decoherence and…
Non-Markovian effects in the dynamics of an open system are typically characterized by non-monotonic information flows from the system to its environment or by information backflows from the environment to the system. Using a two-level…
Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…
Process tensor matrix product operators (PT-MPOs) enable numerically exact simulations for an unprecedentedly broad range of open quantum systems. By representing environment influences in MPO form, they can be efficiently compressed using…
The study of the physical properties of open quantum systems is at the heart of many present investigations which aim to describe their dynamical evolution, on theoretical ground and through physical realizations. Here we develop a…
The simulation of many-body open quantum systems is key to solving numerous outstanding problems in physics, chemistry, material science, and in the development of quantum technologies. Near-term quantum computers may bring considerable…