Cover Image

Linked Cell Traversal Algorithms for Three-Body Interactions in Molecular Dynamics

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Escobar, Jose Alfonso Pinzon, Mühlhäußer, Markus, Bungartz, Hans-Joachim, Neumann, Philipp
Format:	Preprint
Published:	2025
Subjects:	Computational Engineering, Finance, and Science Computational Physics 65Y05
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

The Multiple Time-Stepping Method for 3-Body Interactions in High Performance Molecular Dynamics Simulations
by: Martin, David, et al.
Published: (2025)

M2L Translation Operators for Kernel Independent Fast Multipole Methods on Modern Architectures
by: Kailasa, Srinath, et al.
Published: (2024)

A Comparison of Massively Parallel Performance Portable Particle-in-Cell schemes for electrostatic kinetic plasma simulations
by: Mayani, Sonali, et al.
Published: (2026)

Tuning of Vectorization Parameters for Molecular Dynamics Simulations in AutoPas
by: Gall, Luis, et al.
Published: (2025)

Scalable solvers for complex electromagnetics problems
by: Badia, Santiago, et al.
Published: (2019)

Robust and scalable nonlinear solvers for finite element discretizations of biological transportation networks
by: Haskovec, Jan, et al.
Published: (2025)

Parallel performance of shared memory parallel spectral deferred corrections
by: Freese, Philip, et al.
Published: (2024)

Iterative Methods in GPU-Resident Linear Solvers for Nonlinear Constrained Optimization
by: Świrydowicz, Kasia, et al.
Published: (2024)

Algorithm Selection in Short-Range Molecular Dynamics Simulations
by: Newcome, Samuel James, et al.
Published: (2025)

A Neumann-Neumann Acceleration with Coarse Space for Domain Decomposition of Extreme Learning Machines
by: Lee, Chang-Ock, et al.
Published: (2025)

A weighted multilevel Monte Carlo method
by: Li, Yu, et al.
Published: (2024)

Parallelization and scalability analysis of inverse factorization using the Chunks and Tasks programming model
by: Artemov, Anton G., et al.
Published: (2019)

Mixed-precision numerics in scientific applications: survey and perspectives
by: Kashi, Aditya, et al.
Published: (2024)

Cell Electropermeabilization Modeling via Multiple Traces Formulation and Time Semi-Implicit Coupling
by: Ávila, Isabel A. Martínez, et al.
Published: (2024)

Vectorized Parallel in Time methods for low-order discretizations with application to Porous Media problems
by: Engwer, Christian, et al.
Published: (2025)

Device-Induced Thrombus Formation in Cerebral Aneurysms: Linking Patient-Specific Clot Modeling and Functional Occlusion to Virtual Angiographic Assessment
by: Holzberger, Fabian, et al.
Published: (2026)

Code Generation and Performance Engineering for Matrix-Free Finite Element Methods on Hybrid Tetrahedral Grids
by: Böhm, Fabian, et al.
Published: (2024)

Matrix-Free Higher-Order Finite Element Methods for Hyperelasticity
by: Schussnig, Richard, et al.
Published: (2024)

Differential Inversion of the Implicit Euler Method: Symbolic Analysis
by: Naumann, Uwe
Published: (2024)

Large-Scale Topology Optimisation of Time-dependent Thermal Conduction Using Space-Time Finite Elements and a Parallel Space-Time Multigrid Preconditioner
by: Alexandersen, Joe, et al.
Published: (2025)

On convergence of waveform relaxation for nonlinear systems of ordinary differential equations
by: Botchev, Mike A.
Published: (2023)

One-shot Parareal Approach for Topology Optimisation of Transient Heat Flow
by: Appel, Magnus, et al.
Published: (2024)

Parallel Gauss-Jordan Elimination and System Reduction for Efficient Circuit Simulation
by: Noveski, Filip, et al.
Published: (2026)

A greedy non-intrusive reduced order model for shallow water equations
by: Dutta, Sourav, et al.
Published: (2020)

Multilevel Monte Carlo with Numerical Smoothing for Robust and Efficient Computation of Probabilities and Densities
by: Bayer, Christian, et al.
Published: (2020)

Large-scale Thermo-Mechanical Simulation of Laser Beam Welding Using High-Performance Computing: A Qualitative Reproduction of Experimental Results
by: Bevilacqua, Tommaso, et al.
Published: (2025)

Parallel MCMC Algorithms: Theoretical Foundations, Algorithm Design, Case Studies
by: Glatt-Holtz, Nathan E., et al.
Published: (2022)

Scalable Mean-Variance Portfolio Optimization via Subspace Embeddings and GPU-Friendly Nesterov-Accelerated Projected Gradient
by: Niu, Yi-Shuai, et al.
Published: (2026)

Single- and Multi-Level Fourier-RQMC Methods for Multivariate Shortfall Risk
by: Hammouda, Chiheb Ben, et al.
Published: (2026)

Symbolic Algorithm for Solving SLAEs with Multi-Diagonal Coefficient Matrices
by: Veneva, Milena
Published: (2024)

An hp Multigrid Approach for Tensor-Product Space-Time Finite Element Discretizations of the Stokes Equations
by: Margenberg, Nils, et al.
Published: (2025)

A numerical method for solution of ordinary differential equations of fractional order
by: Jacek, Leszczynski, et al.
Published: (2002)

A Parareal Algorithm with Low-Rank Coarse Solvers
by: Gander, Martin J., et al.
Published: (2025)

S-OPT: A Points Selection Algorithm for Hyper-Reduction in Reduced Order Models
by: Lauzon, Jessica T., et al.
Published: (2022)

Data-Driven Update of B(H) Curves of Iron Yokes in Normal Conducting Accelerator Magnets
by: Fleig, Luisa, et al.
Published: (2023)

A multilevel sketch-and-solve method for overdetermined least squares problems
by: Haas, Irina-Beatrice, et al.
Published: (2026)

ML-Based Optimum Number of CUDA Streams for the GPU Implementation of the Tridiagonal Partition Method
by: Veneva, Milena, et al.
Published: (2025)

ML-Based Optimum Sub-system Size Heuristic for the GPU Implementation of the Tridiagonal Partition Method
by: Veneva, Milena
Published: (2025)

Efficient Risk Estimation for the Credit Valuation Adjustment
by: Giles, Michael B., et al.
Published: (2023)

Heterogeneous Entity Representation for Medicinal Synergy Prediction
by: Wu, Jiawei, et al.
Published: (2024)