Related papers: Materials Cloud, a platform for open computational…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…
With the advantages that cloud computing offers in terms of platform as a service, software as a service, and infrastructure as a service, data engineers and data scientists are able to leverage cloud computing for their ETL/ELT (extract,…
It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…
Recently, we have been witnessing huge advancements in the scale of data we routinely generate and collect in pretty much everything we do, as well as our ability to exploit modern technologies to process, analyze and understand this data.…
Cloud computing provides ubiquitous and on-demand access to vast reconfigurable resources that can meet any computational need. Many service models are available, but the Infrastructure as a Service (IaaS) model is particularly suited to…
Cloud computing has permeated into the information technology industry in the last few years, and it is emerging nowadays in scientific environments. Science user communities are demanding a broad range of computing power to satisfy the…
With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many…
Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great…
Recent developments in the commercial open source community have catalysed the use of Linux containers for scalable deployment of web-based applications to the cloud. Scientific software can be containerized with dependencies, configuration…
Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, and chemistry communities. This perspective article identifies…
In a new effort to make our research transparent and reproducible by others, we developed a workflow to run and share computational studies on the public cloud Microsoft Azure. It uses Docker containers to create an image of the application…
Over the last two decades, the field of computational science has seen a dramatic shift towards incorporating high-throughput computation and big-data analysis as fundamental pillars of the scientific discovery process. This has…
Moving legacy software systems to cloud platforms is an ever popular option. But, such an endeavour may not be hazard-free and demands a proper understanding of requirements and risks involved prior to taking any actions. The time is indeed…
The enabling of scientific experiments that are embarrassingly parallel, long running and data-intensive into a cloud-based execution environment is a desirable, though complex undertaking for many researchers. The management of such…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is a unified platform for multiscale, multimodal, forward, and inverse materials design. It integrates diverse theoretical and experimental approaches, including…
In this paper we describe the architecture of a Platform as a Service (PaaS) oriented to computing and data analysis. In order to clarify the choices we made, we explain the features using practical examples, applied to several known usage…
Cloud computing is the internet based provisioning of the computing resources, software, and information on demand. Cloud Computing is referred to as one of most recent emerging paradigms of computing utilities. Since Cloud computing is the…
In computational science and in computer science, research software is a central asset for research. Computational science is the application of computer science and software engineering principles to solving scientific problems, whereas…
Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…
As Clouds are complex, large-scale, and heterogeneous distributed systems, management of their resources is a challenging task. They need automated and integrated intelligent strategies for provisioning of resources to offer services that…