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Related papers: Roadmap on Data-Centric Materials Science

200 papers

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…

Machine Learning · Computer Science 2023-09-13 Paul Bilokon , Oleksandr Bilokon , Saeed Amen

New materials have long marked the civilization level, serving as an impetus for technological progress and societal transformation. The classic structure-property correlations were key of materials science and engineering. However, the…

Materials Science · Physics 2026-03-11 Caichao Ye , Tao Feng , Weishu Liu , Wenqing Zhang

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…

Materials Science · Physics 2025-10-09 Victor Dudarev , Lars Banko , Alfred Ludwig

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…

Artificial Intelligence · Computer Science 2017-09-08 Martin Hofmann , Florian Neukart , Thomas Bäck

Data and Science has stood out in the generation of results, whether in the projects of the scientific domain or business domain. CERN Project, Scientific Institutes, companies like Walmart, Google, Apple, among others, need data to present…

General Literature · Computer Science 2022-01-19 Rogerio Rossi

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Magnetism is a very fascinating and dynamic field. Especially in the last 30 years it has experienced many major advances in the full range from novel fundamental phenomena to new products. Applications such as hard disk drives and magnetic…

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

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…

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

Materials Science · Physics 2020-06-12 Kevin Maik Jablonka , Daniele Ongari , Seyed Mohamad Moosavi , Berend Smit

Data science methodologies, which have undergone significant developments recently, provide flexible representational performance and fast computational means to address the challenges faced by traditional scientific methodologies while…

Data Analysis, Statistics and Probability · Physics 2021-10-05 Takashi Miyamoto

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Propelled partly by the Materials Genome Initiative, and partly by the algorithmic developments and the resounding successes of data-driven efforts in other domains, informatics strategies are beginning to take shape within materials…

Materials Science · Physics 2017-07-25 Rampi Ramprasad , Rohit Batra , Ghanshyam Pilania , Arun Mannodi-Kanakkithodi , Chiho Kim

The rapid advancement of artificial intelligence (AI) is changing our lives in many ways. One application domain is data science. New techniques in automating the creation of AI, known as AutoAI or AutoML, aim to automate the work practices…

Human-Computer Interaction · Computer Science 2019-09-06 Dakuo Wang , Justin D. Weisz , Michael Muller , Parikshit Ram , Werner Geyer , Casey Dugan , Yla Tausczik , Horst Samulowitz , Alexander Gray

The digitalisation of research requires data management systems capable of supporting a broad spectrum of usage scenarios, ranging from document-oriented repositories to fully factographic environments. This paper introduces a…

Digital Libraries · Computer Science 2025-10-22 Victor Dudarev , Alfred Ludwig

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…

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. An emerging ecosystem of models and tools aims to support researchers throughout the scientific lifecycle,…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

The definition of Data Science is a hotly debated topic. For many, the definition is a simple shortcut to Artificial Intelligence or Machine Learning. However, there is far more depth and nuance to the field of Data Science than a simple…

Other Statistics · Statistics 2025-03-19 Brian Wright , Peter Alonzi , Ali Rivera