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Nowadays, science has been coming into a new paradigm, called data-intensive science. While current studies of the new phenomenon focused on building up infrastructure for this new paradigm, yet a few studies concern users of scientific…

We discuss here our vision for an Open-Science platform for computational Materials Science. Such a platform needs to rely on three pillars, consisting of 1) open data generation tools (including the simulation codes, the scientific…

Multilayer network science has emerged as a central framework for analysing interconnected and interdependent complex systems. Its relevance has grown substantially with the increasing availability of rich, heterogeneous data, which makes…

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Data science, and machine learning in particular, is rapidly transforming the scientific and industrial landscapes. The aerospace industry is poised to capitalize on big data and machine learning, which excels at solving the types of…

Maintaining competitive advantage is significant in this present day of globalization, knowledge management and enormous economic activities. An organization's future developments are influenced by its managements' decisions. Businesses…

Data science and machine learning are the key technologies when it comes to the processes and products with automatic learning and optimization to be used in the automotive industry of the future. This article defines the terms "data…

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular interest are emerging materials that display exceptional…

Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as high-throughput simulations or machine learning, often rely on…

Recent advances in data science, machine learning, and artificial intelligence, such as the emergence of large language models, are leading to an increasing demand for data that can be processed by such models. While data sources are…

Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…

Data science has emerged from the proliferation of digital data, coupled with advances in algorithms, software and hardware (e.g., GPU computing). Innovations in structural biology have been driven by similar factors, spurring us to ask:…

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning…

While material innovation can enable sustainable development, environmental and social impacts of emerging materials are often assessed only after design choices are "locked in." Here, we argue for a shift in perspective: life cycle…

In the field of computer vision, unsupervised learning for 2D object generation has advanced rapidly in the past few years. However, 3D object generation has not garnered the same attention or success as its predecessor. To facilitate novel…

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing…

Rich material data is complex, large and heterogeneous, integrating primary and secondary non-destructive testing data for spatial, spatio-temporal, as well as high-dimensional data analyses. Currently, materials experts mainly rely on…

The integration of data science into Geographic Information Systems (GIS) has facilitated the evolution of these tools into complete spatial analysis platforms. The adoption of machine learning and big data techniques has equipped these…

Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…