From NWChem to NWChemEx: Evolving with the computational chemistry landscape

K Kowalski, R Bair, NP Bauman, JS Boschen… - Chemical …, 2021 - ACS Publications
Since the advent of the first computers, chemists have been at the forefront of using
computers to understand and solve complex chemical problems. As the hardware and …

[HTML][HTML] Scalable molecular dynamics on CPU and GPU architectures with NAMD

JC Phillips, DJ Hardy, JDC Maia, JE Stone… - The Journal of …, 2020 - pubs.aip.org
NAMD is a molecular dynamics program designed for high-performance simulations of very
large biological objects on CPU-and GPU-based architectures. NAMD offers scalable …

The landscape of exascale research: A data-driven literature analysis

S Heldens, P Hijma, BV Werkhoven… - ACM Computing …, 2020 - dl.acm.org
The next generation of supercomputers will break the exascale barrier. Soon we will have
systems capable of at least one quintillion (billion billion) floating-point operations per …

A roadmap toward the resilient internet of things for cyber-physical systems

D Ratasich, F Khalid, F Geissler, R Grosu… - IEEE …, 2019 - ieeexplore.ieee.org
The Internet of Things (IoT) is a ubiquitous system connecting many different devices-the
things-which can be accessed from the distance. The cyber-physical systems (CPSs) …

RUAD: Unsupervised anomaly detection in HPC systems

M Molan, A Borghesi, D Cesarini, L Benini… - Future Generation …, 2023 - Elsevier
The increasing complexity of modern high-performance computing (HPC) systems
necessitates the introduction of automated and data-driven methodologies to support system …

Efficient verification of real-time systems: Compact data structure and state-space reduction

KG Larsen, F Larsson, P Pettersson… - Proceedings Real-Time …, 1997 - ieeexplore.ieee.org
During the past few years, a number of verification tools have been developed for real-time
systems in the framework of timed automata (eg KRONOS and UPPAAL). One of the major …

Anomaly detection and anticipation in high performance computing systems

A Borghesi, M Molan, M Milano… - IEEE Transactions on …, 2021 - ieeexplore.ieee.org
In their quest toward Exascale, High Performance Computing (HPC) systems are rapidly
becoming larger and more complex, together with the issues concerning their maintenance …

Enabling low latency services on LTE networks

CA Garcia-Perez, P Merino - 2016 IEEE 1st International …, 2016 - ieeexplore.ieee.org
The upcoming 5G technologies promise to enable ultra low latency services such as remote
robotics, augmented reality or vehicle to vehicle communications. Fog and MEC computing …

Power, reliability, and performance: One system to rule them all

B Acun, A Langer, E Meneses, H Menon, O Sarood… - Computer, 2016 - ieeexplore.ieee.org
In a design based on the Charm++ parallel programming framework, an adaptive runtime
system dynamically interacts with a datacenter's resource manager to control power by …

Unified fault-tolerance framework for hybrid task-parallel message-passing applications

O Subasi, T Martsinkevich… - … Journal of High …, 2018 - journals.sagepub.com
We present a unified fault-tolerance framework for task-parallel message-passing
applications to mitigate transient errors. First, we propose a fault-tolerant message-logging …