activity
20222026
most citedBreaking Down the Parallel Performance of GROMACS, a High-Performance Molecular Dynamics Software

8 citations · 10 across the 7 of their papers we have counts for

collaborators

7 papers

cs.PF2026

A Sub-linear Low-Rank Solver for Poisson's Equation using Machine Learning Frameworks for GPU Acceleration

Måns I. Andersson, Daniel Appelö

In this paper we explore a fast Poisson solver for problems with a solution that is known to be low-rank. We use an adaptive and warm started cross approximation called Cross-DEIM…

cs.CL2025

Optimizing FDTD Solvers for Electromagnetics: A Compiler-Guided Approach with High-Level Tensor Abstractions

Yifei He, Måns I. Andersson, Stefano Markidis

The Finite Difference Time Domain (FDTD) method is a widely used numerical technique for solving Maxwell's equations, particularly in computational electromagnetics and photonics.…

cs.DC2024

Experience and Analysis of Scalable High-Fidelity Computational Fluid Dynamics on Modular Supercomputing Architectures

Martin Karp, Estela Suarez, Jan H. Meinke +4

The never-ending computational demand from simulations of turbulence makes computational fluid dynamics (CFD) a prime application use case for current and future exascale systems.…

math.NA2023

Anderson Accelerated PMHSS for Complex-Symmetric Linear Systems

Måns I. Andersson, Felix Liu, Stefano Markidis

This paper presents the design and development of an Anderson Accelerated Preconditioned Modified Hermitian and Skew-Hermitian Splitting (AA-PMHSS) method for solving complex-symme…

physics.comp-ph2022★ 8 cited

Breaking Down the Parallel Performance of GROMACS, a High-Performance Molecular Dynamics Software

Måns I. Andersson, N. Arul Murugan, Artur Podobas +1

GROMACS is one of the most widely used HPC software packages using the Molecular Dynamics (MD) simulation technique. In this work, we quantify GROMACS parallel performance using di…

cs.MS2022★ 2 cited

Distributed Objective Function Evaluation for Optimization of Radiation Therapy Treatment Plans

Felix Liu, Måns I. Andersson, Albin Fredriksson +1

The modern workflow for radiation therapy treatment planning involves mathematical optimization to determine optimal treatment machine parameters for each patient case. The optimiz…

cs.MS2022

FFTc: An MLIR Dialect for Developing HPC Fast Fourier Transform Libraries

Yifei He, Artur Podobas, Måns I. Andersson +1

Discrete Fourier Transform (DFT) libraries are one of the most critical software components for scientific computing. Inspired by FFTW, a widely used library for DFT HPC calculatio…