Related papers: fmmgen: Automatic Code Generation of Operators for…

A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…

Improving the computational efficiency of quantum many-body calculations from a hardware perspective remains a critical challenge. Although field-programmable gate arrays (FPGAs) have recently been exploited to improve the computational…

In this paper, we consider a pressure-velocity formulation of the heterogeneous wave equation and employ the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM) to solve this problem. The proposed method…

Kernel methods are a highly effective and widely used collection of modern machine learning algorithms. A fundamental limitation of virtually all such methods are computations involving the kernel matrix that naively scale quadratically…

Code retrieval techniques and tools have been playing a key role in facilitating software developers to retrieve existing code fragments from available open-source repositories given a user query. Despite the existing efforts in improving…

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

We present solidfmm, a highly optimised C++ library for the solid harmonics as they are needed in fast multipole methods. The library provides efficient, vectorised implementations of the translation operations M2M, M2L, and L2L, and is…

We present SymForce, a library for fast symbolic computation, code generation, and nonlinear optimization for robotics applications like computer vision, motion planning, and controls. SymForce combines the development speed and flexibility…

In this work we present a method for generating a fermionic encoding tailored to a set of target fermionic operators and to a target hardware connectivity. Our method uses brute force search, over the space of all encodings which map from…

We describe here a library aimed at automating the solution of partial differential equations using the finite element method. By employing novel techniques for automated code generation, the library combines a high level of expressiveness…

A fast multipole method (FMM) for asymptotically smooth kernel functions (1/r, 1/r^4, Gauss and Stokes kernels, radial basis functions, etc.) based on a Chebyshev interpolation scheme has been introduced in [Fong et al., 2009]. The method…

A program to generate codes in Fortran and C of the full Magnetohydrodynamic equations is shown. The program used the free computer algebra system software REDUCE. This software has a package called EXCALC, which is an exterior calculus…

We present a versatile open-source framework designed to facilitate efficient, numerically-tailored Matrix-Matrix Multiplications (MMMs). The framework offers two primary contributions: first, a fine-tuned, automated pipeline for arithmetic…

An improved approach to updating the electric field in simulations of Coulomb gases using the local lattice technique introduced by Maggs and Rossetto, is described and tested. Using the Fast Fourier Transform (FFT) an independent…

We describe a parallel, cosmological N-body code based on a hybrid scheme using the particle-mesh (PM) and Barnes-Hut (BH) oct-tree algorithm. We call the algorithm GOTPM for Grid-of-Oct-Trees-Particle-Mesh. The code is parallelized using…

We present a quantum algorithm for simulating complex many-body systems and finding their ground states, combining the use of tensor networks and density matrix renormalization group (DMRG) techniques. The algorithm is based on von…

The fast multipole method (FMM) performs fast approximate kernel summation to a specified tolerance $\epsilon$ by using a hierarchical division of the domain, which groups source and receiver points into regions that satisfy local…

Molecular mechanics (MM) potentials have long been a workhorse of computational chemistry. Leveraging accuracy and speed, these functional forms find use in a wide variety of applications in biomolecular modeling and drug discovery, from…

While large language models (LLMs) have been widely applied to code generation, they struggle with generating entire deep learning projects, which are characterized by complex structures, longer functions, and stronger reliance on domain…

In this paper, we propose a fast multipole method (FMM) for 3-D linearized Poisson-Boltzmann (PB) equation in layered media. The main framework of the algorithm is analogous to the FMM for Helmholtz and Laplace equation in layered media…