Related papers: Updated Core Libraries of the ALPS Project
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…
The ATLAS experiment has developed extensive software and distributed computing systems for Run 3 of the LHC. These systems are described in detail, including software infrastructure and workflows, distributed data and workload management,…
The availability of open-source molecular simulation software packages allows scientists and engineers to focus on running and analyzing simulations without having to write, parallelize, and validate their own simulation software. While…
Porting applications to new hardware or programming models is a tedious and error prone process. Every help that eases these burdens is saving developer time that can then be invested into the advancement of the application itself instead…
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
Reed-Solomon (RS) codes have been increasingly adopted by distributed storage systems in place of replication,because they provide the same level of availability with much lower storage overhead. However, a key drawback of those RS-coded…
In the context of the energy transition, with increasing integration of renewable sources and cross-border electricity exchanges, power grids are encountering greater uncertainty and operational risk. Maintaining grid stability under…
A large number of computational scientific research projects make use of open source software packages. However, the development process of such tools frequently differs from conventional software development; partly because of the nature…
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet. The phonopy and phono3py codes are widely used open…
High-quality visualizations are an essential part of robotics research, enabling clear communication of results through figures, animations, and demonstration videos. While Blender is a powerful and freely available 3D graphics platform,…
We review various changes made in recent years to the software development process of the LAMMPS simulation software package and the software itself. We discuss how those changes have impacted the effort and workflow required to develop and…
Assisted by neural networks, reinforcement learning agents have been able to solve increasingly complex tasks over the last years. The simulation environment in which the agents interact is an essential component in any reinforcement…
Massively parallel Fourier transforms are widely used in computational sciences, and specifically in computational fluid dynamics which involves unbounded Poisson problems. In practice the latter is usually the most time-consuming operation…
NIMS-OS (NIMS Orchestration System) is a Python library created to realize a closed loop of robotic experiments and artificial intelligence (AI) without human intervention for automated materials exploration. It uses various combinations of…
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…
LAMMPS is a widely popular classical Molecular Dynamics package. It was designed for materials modeling but it is well prepared for simulations in Soft Matter. The use packages like LAMMPS has advantages and disadvantages. The main…
Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…
Cyber-Physical Systems (CPS) integrate digital technologies with physical processes and are common in different domains and industries, such as robotic systems, autonomous vehicles or satellites. Debugging and verification of CPS software…
Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…
We leverage highly successful prior projects sponsored by multiple NSF grants and gifts from industry: the BLAS-like Library Instantiation Software (BLIS) and the libflame efforts to lay the foundation for a new flexible framework by…