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MR-STAT is a recently proposed framework that allows the reconstruction of multiple quantitative parameter maps from a single short scan by performing spatial localisation and parameter estimation on the time domain data simultaneously,…

We present M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations. It can perform pseudopotential spin-polarized and unpolarized Kohn-Sham Density Functional Theory (DFT) simulations for isolated systems such as molecules…

Computational Physics · Physics 2019-12-23 Qimen Xu , Abhiraj Sharma , Phanish Suryanarayana

The minimum spanning tree (MST) construction is a classical problem in Distributed Computing for creating a globally minimized structure distributedly. Self-stabilization is versatile technique for forward recovery that permits to handle…

Data Structures and Algorithms · Computer Science 2016-11-25 Lélia Blin , Maria Gradinariu Potop-Butucaru , Stephane Rovedakis , Sébastien Tixeuil

We present fast algorithms for approximate shortest paths in the massively parallel computation (MPC) model. We provide randomized algorithms that take $poly(\log{\log{n}})$ rounds in the near-linear memory MPC model. Our results are for…

Data Structures and Algorithms · Computer Science 2025-05-20 Michal Dory , Shaked Matar

Linear-scaling electronic-structure techniques, also called O(N) techniques, rely heavily on the multiplication of sparse matrices, where the sparsity arises from spatial cut-offs. In order to treat very large systems, the calculations must…

Materials Science · Physics 2009-10-31 D. R. Bowler , T. Miyazaki , M. J. Gillan

The minimal spanning tree (MST) algorithm is a graph-theoretical cluster-finding method. We previously applied it to gamma-ray bidimensional images, showing that it is quite sensitive in finding faint sources. Possible sources are…

Instrumentation and Methods for Astrophysics · Physics 2013-08-06 R. Campana , E. Bernieri , E. Massaro , F. Tinebra , G. Tosti

Given a set $P$ of terminals in the plane and a partition of $P$ into $k$ subsets $P_1, ..., P_k$, a two-level rectilinear Steiner tree consists of a rectilinear Steiner tree $T_i$ connecting the terminals in each set $P_i$ ($i=1,...,k$)…

Computational Geometry · Computer Science 2015-04-13 Stephan Held , Nicolas Kämmerling

Direct-summation N-body algorithms compute the gravitational interaction between stars in an exact way and have a computational complexity of O(N^2). Performance can be greatly enhanced via the use of special-purpose accelerator boards like…

Computational modeling of the properties of crystalline materials has become an increasingly important aspect of materials research, consuming hundreds of millions of CPU-hours at scientific computing centres around the world each year, if…

Computational Physics · Physics 2020-11-10 Yunzhe Wang , Pandu Wisesa , Adarsh Balasubramanian , Shyam Dwaraknath , Tim Mueller

Computing the Euclidean minimum spanning tree (EMST) is a computationally demanding step of many algorithms. While work-efficient serial and multithreaded algorithms for computing EMST are known, designing an efficient GPU algorithm is…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-08 Andrey Prokopenko , Piyush Sao , Damien Lebrun-Grandié

The Multiobjective Minimum Spanning Tree (MO-MST) problem is a variant of the Minimum Spanning Tree problem, in which the costs associated with every edge of the input graph are vectors. In this paper, we design a new dynamic programming…

Discrete Mathematics · Computer Science 2023-06-29 Pedro Maristany de las Casas , Antonio Sedeño-Noda , Ralf Borndörfer

We present a novel hierarchical formulation of the fourth-order forward symplectic integrator and its numerical implementation in the GPU-accelerated direct-summation N-body code FROST. The new integrator is especially suitable for…

Instrumentation and Methods for Astrophysics · Physics 2021-03-12 Antti Rantala , Thorsten Naab , Volker Springel

This paper presents a novel parallel splitting algorithm for solving quasi-static multiple-network poroelasticity (MPET) equations. By introducing a total pressure variable, the MPET system can be reformulated into a coupled…

Numerical Analysis · Mathematics 2025-07-29 Jijing Zhao , Huangxin Chen , Mingchao Cai , Shuyu Sun

In tree based adaptive mesh refinement, elements are partitioned between processes using a space filling curve. The curve establishes an ordering between all elements that derive from the same root element, the tree. When representing more…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-10 Carsten Burstedde , Johannes Holke

We develop simple and general techniques to obtain faster (near-linear time) static approximation algorithms, as well as efficient dynamic data structures, for four fundamental geometric optimization problems: minimum piercing set (MPS),…

Computational Geometry · Computer Science 2024-07-31 Sujoy Bhore , Timothy M. Chan

Background: Multi-collimator proton minibeam radiation therapy (MC-pMBRT) has recently emerged as a versatile technique for dose shaping, enabling peak-valley dose patterns in organs-at-risk (OAR) while maintaining a uniform dose…

Medical Physics · Physics 2025-02-25 Nimita Shinde , Weijie Zhang , Yuting Lin , Hao Gao

Synthetic aperture radar (SAR) tomography (TomoSAR) has attracted remarkable interest for its ability in achieving three-dimensional reconstruction along the elevation direction from multiple observations. In recent years, compressed…

Signal Processing · Electrical Eng. & Systems 2022-05-06 Muhan Wang , Zhe Zhang , Yue Wang , Silin Gao , Xiaolan Qiu

An improved implementation of an N-body code for simulating collisionless cosmological dynamics is presented. TPM (Tree-Particle-Mesh) combines the PM method on large scales with a tree code to handle particle-particle interactions at small…

Astrophysics · Physics 2009-11-07 Paul Bode , Jeremiah P. Ostriker

In this paper, we study the $r$-gather problem, a natural formulation of minimum-size clustering in metric spaces. The goal of $r$-gather is to partition $n$ points into clusters such that each cluster has size at least $r$, and the maximum…

Data Structures and Algorithms · Computer Science 2021-06-08 Alessandro Epasto , Mohammad Mahdian , Vahab Mirrokni , Peilin Zhong

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

Chemical Physics · Physics 2025-06-10 Junfan Xia , Bin Jiang
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