More recent advances in (hyper) graph partitioning

Ü Çatalyürek, K Devine, M Faraj, L Gottesbüren… - ACM Computing …, 2023 - dl.acm.org
In recent years, significant advances have been made in the design and evaluation of
balanced (hyper) graph partitioning algorithms. We survey trends of the past decade in …

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

Frontier: exploring exascale

S Atchley, C Zimmer, J Lange, D Bernholdt… - Proceedings of the …, 2023 - dl.acm.org
As the US Department of Energy (DOE) computing facilities began deploying petascale
systems in 2008, DOE was already setting its sights on exascale. In that year, DARPA …

The deal. II library, version 9.4

D Arndt, W Bangerth, M Feder, M Fehling… - Journal of Numerical …, 2022 - degruyter.com
The deal.II library, Version 9.4 Skip to content Should you have institutional access? Here's
how to get it ... De Gruyter € EUR - Euro £ GBP - Pound $ USD - Dollar EN English Deutsch 0 …

A perspective on sustainable computational chemistry software development and integration

R Di Felice, ML Mayes, RM Richard… - Journal of chemical …, 2023 - ACS Publications
The power of quantum chemistry to predict the ground and excited state properties of
complex chemical systems has driven the development of computational quantum chemistry …

Landscape of high-performance Python to develop data science and machine learning applications

O Castro, P Bruneau, JS Sottet… - ACM Computing Surveys, 2023 - dl.acm.org
Python has become the prime language for application development in the data science and
machine learning domains. However, data scientists are not necessarily experienced …

ExaCA: A performance portable exascale cellular automata application for alloy solidification modeling

M Rolchigo, ST Reeve, B Stump, GL Knapp… - Computational Materials …, 2022 - Elsevier
Modeling the as-solidified grain structures that form during alloy processing is a critical
component in understanding process-property relationships, particularly for additive …

To exascale and beyond—The Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM), a performance portable global atmosphere model for cloud‐resolving …

AS Donahue, PM Caldwell, L Bertagna… - Journal of Advances …, 2024 - Wiley Online Library
The new generation of heterogeneous CPU/GPU computer systems offer much greater
computational performance but are not yet widely used for climate modeling. One reason for …

Plasma propulsion modeling with particle-based algorithms

F Taccogna, F Cichocki, D Eremin, G Fubiani… - Journal of Applied …, 2023 - pubs.aip.org
This Perspective paper deals with an overview of particle-in-cell/Monte Carlo collision
models applied to different plasma-propulsion configurations and scenarios, from …

Modeling the secular evolution of embedded protoplanetary disks

J Mauxion, G Lesur, S Maret - Astronomy & Astrophysics, 2024 - aanda.org
Context. Protoplanetary disks are known to form around nascent stars from their parent
molecular cloud as a result of angular momentum conservation. As they progressively …