Related papers: A Scalable, Linear-Time Dynamic Cutoff Algorithm f…
Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…
Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear, computationally intensive, and can be difficult to interpret, while often only…
Dynamic spectrum management is recognized as a key technique to tackle interference in multi-user multi-carrier communication systems and networks. However existing dynamic spectrum management algorithms may not be suitable when the…
The Dynamical Graph Grammar (DGG) formalism can describe complex system dynamics with graphs that are mapped into a master equation. An exact stochastic simulation algorithm may be used, but it is slow for large systems. To overcome this…
Accurate and efficient wave-optics simulation of partially coherent light transport systems is critical for the design of advanced optical systems, ranging from computational lithography to diffraction-limited storage rings (DLSR). However,…
Digital memcomputing machines (DMMs) are a class of computational machines designed to solve combinatorial optimization problems. A practical realization of DMMs can be accomplished via electrical circuits of highly non-linear,…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
Differential dynamic microscopy (DDM) typically relies on movies containing hundreds or thousands of frames to accurately quantify motion in soft matter systems. Using movies much shorter in duration produces noisier and less accurate…
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…
The DD-CPM software library provides a set of tools for the discretization and solution of problems arising from the closest point method (CPM) for partial differential equations on surfaces. The solvers are built on top of the well-known…
Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…
Diffusion Probabilistic Models (DPMs) have achieved great success in image generation but suffer from high inference latency due to their iterative denoising nature. Motivated by the evolving feature dynamics across the denoising…
First of all, this paper presents some improvements of DSMC method in the form of new schemes and approaches, that, for a wide class of problems, increase performance and reduce the demands on computer resources. The most important…
The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…
Recent feature matching methods have achieved remarkable performance but lack efficiency consideration. In this paper, we revisit the mainstream detector-free matching pipeline and improve all its stages considering both accuracy and…
Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…
Recently, the intrinsic sampling method has been developed in order to obtain, from molecular simulations, the intrinsic structure of the liquid-vapor interface that is presupposed in the classical capillary wave theory. Our purpose here is…
The discretization of elliptic PDEs leads to large coupled systems of equations. Domain decomposition methods (DDMs) are one approach to the solution of these systems, and can split the problem in a way that allows for parallel computing.…
Video diffusion models (VDMs) perform attention computation over the 3D spatio-temporal domain. Compared to large language models (LLMs) processing 1D sequences, their memory consumption scales cubically, necessitating parallel serving…
All simulation approaches eventually face limits in computational scalability when applied to large spatiotemporal domains. This challenge becomes especially apparent in molecular-level particle simulations, where high spatial and temporal…