Related papers: GOTPM: A Parallel Hybrid Particle-Mesh Treecode
We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and require computational time that remains constant with…
We present a generalized algorithm based on a spherical harmonics expansion method for efficient computation of the three-dimensional gravitational potential on a multi-patch grid in spherical geometry. Instead of solving for the…
We introduce an algorithm that performs a one-directional mesh overset of a parallel forest of octrees with another distributed mesh of unrelated partition. The forest mesh consists of several adaptively refined octrees. Individual smooth…
A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…
Numerical methods have become a powerful tool for research in astrophysics, but their utility depends critically on the availability of suitable simulation codes. This calls for continuous efforts in code development, which is necessitated…
We introduce a fast mesh-based method for computing N-body interactions that is both scalable and accurate. The method is founded on a particle-particle--particle-mesh P3M approach, which decomposes a potential into rapidly decaying…
We present a new hybrid paradigm for parallel adaptive mesh refinement (AMR) that combines the scalability and lightweight architecture of tree-based AMR with the computational efficiency of patch-based solvers for hyperbolic conservation…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
We discuss the performance of direct summation codes used in the simulation of astrophysical stellar systems on highly distributed architectures. These codes compute the gravitational interaction among stars in an exact way and have an…
A complexity-adaptive tree search algorithm is proposed for $\boldsymbol{G}_N$-coset codes that implements maximum-likelihood (ML) decoding by using a successive decoding schedule. The average complexity is close to that of the successive…
The nni-distance is a well-known distance measure for phylogenetic trees. We construct an efficient parallel approximation algorithm for the nni-distance in the CRCW-PRAM model running in O(log n) time on O(n) processors. Given two…
I describe a modification to the original Fast Multipole Method (FMM) of Greengard & Rokhlin that approximates the gravitation field of an FMM cell as a small uniform grid (a "gridlet") of effective masses. The effective masses on a gridlet…
Molecular dynamics (MD) is an important research tool extensively applied in materials science. Running MD on a graphics processing unit (GPU) is an attractive new approach for accelerating MD simulations. Currently, GPU implementations of…
Kernel matrix-vector product is ubiquitous in many science and engineering applications. However, a naive method requires $O(N^2)$ operations, which becomes prohibitive for large-scale problems. We introduce a parallel method that provably…
We introduce FastPM, a highly-scalable approximated particle mesh N-body solver, which implements the particle mesh (PM) scheme enforcing correct linear displacement (1LPT) evolution via modified kick and drift factors. Employing a…
The time-symmetric block time--step (TSBTS) algorithm is a newly developed efficient scheme for $N$--body integrations. It is constructed on an era-based iteration. In this work, we re-designed the TSBTS integration scheme with dynamically…
We propose a generalized multiscale finite element method (GMsFEM) based on clustering algorithm to study the elliptic PDEs with random coefficients in the multi-query setting. Our method consists of offline and online stages. In the…
In this paper, we present a new algorithm for parallel Monte Carlo tree search (MCTS). It is based on the pipeline pattern and allows flexible management of the control flow of the operations in parallel MCTS. The pipeline pattern provides…
This paper presents a novel approach, named the Group Marching Tree (GMT*) algorithm, to planning on GPUs at rates amenable to application within control loops, allowing planning in real-world settings via repeated computation of…
A kernel-independent treecode (KITC) is presented for fast summation of particle interactions. The method employs barycentric Lagrange interpolation at Chebyshev points to approximate well-separated particle-cluster interactions. The KITC…