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The polaron problem is a very old problem in condensed matter physics that dates back to the thirties, but still remain largely unsolved today, especially when electron-electron interaction is taken into consideration. The presence of both…
Low-rank methods for kinetic equations have attracted increasing attention due to their effectiveness in reducing the high dimensionality of phase space. In our previous work [G. Wang & J. Hu, J. Comput. Phys. 558 (2026) 114884], we…
Low-rank approximation in data streams is a fundamental and significant task in computing science, machine learning and statistics. Multiple streaming algorithms have emerged over years and most of them are inspired by randomized…
This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…
Tensor networks have proven to be a valuable tool, for instance, in the classical simulation of (strongly correlated) quantum systems. As the size of the systems increases, contracting larger tensor networks becomes computationally…
The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…
Faster explicit elastic wavefield simulations are required for large and complex three-dimensional media using a structured finite element method. Such wavefield simulations are suitable for GPUs, which have exhibited improved computational…
The initial stages of the evolution of an open quantum system encode the key information of its underlying dynamical correlations, which in turn can predict the trajectory at later stages. We propose a general approach based on…
Open quantum systems provide a conceptually simple setting for the exploration of collective behavior stemming from the competition between quantum effects, many-body interactions, and dissipative processes. They may display dynamics…
We present and analyze the fermionic time evolving density matrix using orthogonal polynomials algorithm (fTEDOPA), which enables the numerically exact simulation of open quantum systems coupled to a fermionic environment. The method allows…
As the characteristic lengths of advanced electronic devices are approaching the atomic scale, ab initio simulation method, with fully consideration of quantum mechanical effects, becomes essential to study the quantum transport phenomenon…
We demonstrate the power of a first principle-based and practicable method that allows for the perturbative computation of reduced density matrix elements of an open quantum system without making use of any master equations. The approach is…
We propose a quantum algorithm in an embedding ion-trap quantum simulator for the efficient computation of N-qubit entanglement monotones without the necessity of full tomography. Moreover, we discuss possible realistic scenarios and study…
Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because…
We present a method for converting tensors into tensor train format based on actions of the tensor as a vector-valued multilinear function. Existing methods for constructing tensor trains require access to "array entries" of the tensor and…
Accurately quantifying the thermodynamic work costs of quantum operations is essential for the continued development and optimisation of emerging quantum technologies. This present a significant challenge in regimes of rapid control within…
The Immersed Boundary Method (IBM) is one of the popular one-fluid mixed Eulerian-Lagrangian methods to simulate motion of droplets. While the treatment of a moving complex boundary is an extremely time consuming and formidable task in a…
We demonstrate that the Chebyshev expansion method is a very efficient numerical tool for studying spin-bath decoherence of quantum systems. We consider two typical problems arising in studying decoherence of quantum systems consisting of…
We propose a framework for discrete scientific data compression based on the tensor-train (TT) decomposition. Our approach is tailored to handle unstructured output data from discrete element method (DEM) simulations, demonstrating its…
We propose using the dynamical invariant also known as the Lewis-Riesenfeld invariant, to speed-up the equilibration of a driven open quantum system. This allows us to reverse engineer the time-dependent master equation that describes the…