Integrating Data Science and Computational Materials Science – Now Open for Submissions!

Submit to this Special Topic today View in Browser SUBMIT AN ARTICLE MANAGE MY ALERTS ABOUT THE JOURNAL Journal of Applied Physics Call for Papers Special Topic: Integrating Data Science and Computational Materials Science This Special Topic aims to explore how cutting-edge data-science techniques, such as machine learning, artificial intelligence, and big data analytics, can be integrated with computational materials science to accelerate materials discovery, optimize materials performance, and enhance predictive modeling.  The convergence of these disciplines is unlocking new possibilities in materials design, enabling the handling of complex datasets, the discovery of hidden patterns, and the development of highly accurate models that push the boundaries of traditional computational approaches. Topics covered include, but are not limited to: • New techniques that integrate data science and computational material science including explainable AI methods, graph neural networks, large language models, and reinforcement learning • Addressing current challenges to integrate computational material science and data science, and proposing new strategies for overcoming them • Accelerating computational materials science through machine learning to overcome the limitations of traditional computational techniques • Computational materials design and discovery to guide experimental investigations such as energy storage, sustainable technologies, and aerospace, etc. • Development of open-access data repositories, software, and techniques that assist computational materials science approaches promoting collaboration and transparency in the community • Standardization of materials data to ensure the reproducibility of computational models Guest Editors Dilpuneet S. Aidhy, Clemson University Donghwa Lee, Pohang University of Science and Technology Kamal Choudhary, National Institute of Standards and Technology Submission Deadline: June 30, 2025 LEARN MORE > Tell Us What You Think! Did you like this email? Yes > No >  Follow us on social media Copyright © 2025 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. To guarantee delivery of this email please add journals@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings.