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The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…
Accessing data from distributed computing is essential in many workflows, but can be complicated for users of cyberinfrastructure. They must perform multiple steps to make data available to distributed computing using unfamiliar tools.…
Astronomy is undergoing through a methodological revolution triggered by an unprecedented wealth of complex and accurate data. DAMEWARE (DAta Mining & Exploration Web Application and REsource) is a general purpose, Web-based, Virtual…
Data mining is a key technology in big data analytics and it can discover understandable knowledge (patterns) hidden in large data sets. Association rule is one of the most useful knowledge patterns, and a large number of algorithms have…
To address the SMC'17 data challenge -- "Data mining atomically resolved images for material properties", we first used the classic "blob detection" algorithms developed in computer vision to identify all atom centers in each STEM image…
Model Predictive Control (MPC) has become a popular framework in embedded control for high-performance autonomous systems. However, to achieve good control performance using MPC, an accurate dynamics model is key. To maintain real-time…
The Quantum Internet is key for distributed quantum computing, by interconnecting multiple quantum processors into a virtual quantum computation system. This allows to scale the number of qubits, by overcoming the inherent limitations of…
Network Virtualization is one of the most promising technologies for future networking and considered as a critical IT resource that connects distributed, virtualized Cloud Computing services and different components such as storage,…
Cloud computing provides a computing platform for the users to meet their demands in an efficient, cost-effective way. Virtualization technologies are used in the clouds to aid the efficient usage of hardware. Virtual machines (VMs) are…
The complexities of today's materials simulations demand computer codes which are both powerful and highly flexible. A researcher should be able to readily choose different geometries, different materials and different algorithms without…
Internet of Things systems exists in various areas of our everyday life. For example, sensors installed in smart cities and homes are processed in edge and cloud computing centres providing several benefits that improve our lives. The place…
The continuous increase in the availability of data of any kind, coupled with the development of networks of high-speed communications, the popularization of cloud computing and the growth of data centers and the emergence of…
One of the challenges currently problems in the use of cloud services is the task of designing of specialized data management systems. This is especially important for hybrid systems in which the data are located in public and private…
Recent data protection and data governance regulations have intensified the demand for interoperable, decentralized data ecosystems that can support not only access control but also legally-aligned governance over data use. Existing…
Cloud-enabled large-scale distributed systems orchestrate resources and services from various providers in order to deliver high-quality software solutions to the end users. The space and structure created by such technological advancements…
All Control Systems that grow to any size have a variety of data that are stored in different formats on different nodes in the network. Examples include sensor value and status, archived sensor data, device oriented support data and…
Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., units, zero base…
A blockchain is a decentralised linked data structure that is characterised by its inherent resistance to data modification, but it is deficient in search queries, primarily due to its inferior data formatting. A distributed database is…
Molecular dynamics (MD) simulation is a powerful tool for studying biomolecular structural changes, molecular recognition, transmembrane transport, and functional mechanisms. However, its practical bottleneck lies not only in software…
In this paper we describe the design, and implementation of the Open Science Data Cloud, or OSDC. The goal of the OSDC is to provide petabyte-scale data cloud infrastructure and related services for scientists working with large quantities…