This Special Issue will promote AI in materials science and push the boundaries of what is possible to further accelerate the pace of materials discovery. Submit your manuscript by July 1, 2025.

A close-up view of a computer microchip with intricate circuits and purple-blue lighting effects.

In the realm of materials science, where the exploration of new compounds and their properties can be painstakingly slow, artificial intelligence (AI), including machine learning (ML) and deep learning (DL), has emerged as a transformative force. This interdisciplinary marriage between computer science and materials science has unlocked unprecedented avenues for innovation, offering novel insights, accelerating research, and revolutionizing the development of advanced materials.

A new Special Issue from Journal of Chemical Information and Modeling (JCIM) will highlight this important topic, exploring the integration of machine learning algorithms into materials science and how this can not only represent a transformative leap towards innovation and discovery, but also address some of the most pressing challenges facing society.

Topics include, but are not limited to:

  • Novel applications of AI in materials science
  • Novel machine learning techniques and applications
  • Novel deep learning techniques and applications

Journal of Computational Imaging and Modeling invites submissions from researchers and scientists worldwide to report on novel ML/DL techniques and applications to materials science and welcome all types of manuscripts that fit the scope of JCIM, such as articles, perspectives, viewpoints, reviews, letters, and application notes.

Submission Deadline: July 1, 2025

Explore the accompanying Special Issue Editorial for more background on this exciting topic:

Organizing Editors

Kenneth M. Merz Jr., Editor-in-Chief, JCIM
Michigan State University, United States

Choong Yee Siew, Associate Editor, JCIM
Universiti Sains Malaysia, Malaysia

Zoe Cournia, Executive Editor, JCIM
Biomedical Research Foundation, Greece

Thereza A. Soares, Executive Editor, JCIM
University of São Paulo, Brazil

Guowei Wei, Associate Editor, JCIM
Michigan State University, United States

Feng Zhu, Associate Editor, JCIM
Zhejiang University, China

Submission Information

We welcome submissions for this Special Issue through July 1, 2025. For more information on submission requirements, please visit the journal’s Author Guidelines page.

Accepted manuscripts for consideration in this Special Issue will include articles, perspectives, viewpoints, reviews, letters, and application notes.Papers accepted for publication for this Special Issue will be available ASAP (as soon as publishable) online as soon as they are accepted. After all submissions have been published, they will then be compiled online on a dedicated landing page to form the Special Issue. Manuscripts submitted for consideration will undergo the full rigorous peer review process expected from ACS journals.

How to Submit

  • Log in to the ACS Paragon Plus submission site.
  • Choose Journal of Computational Imaging and Modeling.
  • Select your manuscript type, and, under "Special Issue Selection," choose “Machine Learning in Materials Science."

If you have any general questions regarding submission to this Special Issue, please contact Pavithra Naullage, Managing Editor (

Open Access

There are diverse open access options for publications in American Chemical Society journals. Please visit our Open Science Resource Center for more information.

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