Academic Journal
Q1Computational Materials Today
About Computational Materials Today
Computational Materials Today is a scholarly journal published by Elsevier Ltd. SCImago 2025 lists it in Q1, with an SJR of 0.872 and H-index of 6.
Coverage: 2024-2026. Research categories: Materials Science (miscellaneous) (Q1); Modeling and Simulation (Q1); Computer Science Applications (Q2).
Open-access policies and author information
Reported in the official DOAJ public CSV snapshot (2026-09-01), downloaded 2026-10-03. Record updated 2026-04-27. This snapshot does not establish today’s listing status or fee quotation.
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Source-backed journal facts
Topics in published research
Machine Learning in Materials Science; 2D Materials and Applications; Graphene research and applications; Hydrogen Storage and Materials; Semiconductor materials and devices; Rare-earth and actinide compounds.
OpenAlex classifies topics from published works. These topics are not the publisher’s official aims and scope.
Source: OpenAlex source record. Retrieved 2026-10-03. Source record updated 2026-10-02. OpenAlex metrics are different from SCImago metrics and the Clarivate Journal Impact Factor.
Journal Metrics
Quartile, SJR and the listed SCImago H-index use the 2025 imported SCImago dataset. A quartile may vary by subject category. Values without a source or reporting year are unverified historical entries. Verify the current Journal Impact Factor with Clarivate or the publisher before using it.
Aims & Scope
The publisher’s official aims and scope have not yet been verified for this profile. Use the journal website to check subject fit and accepted article types before submitting.
Recent Research Articles
Latest publications matched automatically by ISSN.
Fine-tuning of universal machine-learning interatomic potentials for high-entropy alloys with application to 2D (Mo,Ta,Nb,W,V)S2
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Aziz Ghoufi
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2026-12 · DOI: 10.1016/j.commt.2026.100065Impact of 4f pseudopotential treatments on predicted high-Tc superconductivity in heavy rare-earth hexahydrides
P. Song, Z. Hou, R. Maezono, K. Hongo et al.
2026-12 · DOI: 10.1016/j.commt.2026.100063Origin of metal-insulator transition in rare-earth Nickelates
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2026-09 · DOI: 10.1016/j.commt.2026.100058Design of deep-ultraviolet nonlinear optical BePNO2 guided by non-π-conjugated NLO-active unit
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2026-09 · DOI: 10.1016/j.commt.2026.100061Machine learning-based modeling of double perovskites via multi-output prediction of bandgap and dielectric properties
Anjali Kumari, Anup Shrivastava, Jost Adam
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2026-06 · DOI: 10.1016/j.commt.2026.100055A review of topological descriptors for amorphous materials complementing graph neural networks
Yuhang Wang, Dongchao Guo, Tao Yang, Qihao Qian et al.
2026-06 · DOI: 10.1016/j.commt.2026.100053Real-time steel core defect detection using enhanced lightweight object detection algorithm with data augmentation
Zijuan Yin, Haichao Li, Shan Chen, Kangnan Luo et al.
2026-06 · DOI: 10.1016/j.commt.2026.100056Machine learning drives a new paradigm in inorganic solid-state electrolytes research
Xiang Yin, Jun Ma, Shu Zhang, Guanglei Cui et al.
2026-06 · DOI: 10.1016/j.commt.2026.100051Machine learning driven exploration of hydride superconductors at ambient pressure
Paulo R. Pires, Thalis H.B. da Silva, Kun Gao, Kaja H. Hiorth et al.
2026-06 · DOI: 10.1016/j.commt.2026.100052Novel bora- and aza-triangulene-based graphyne and graphdiyne: Stable and stretchable narrow-gap semiconductors explored by first principles and machine learning
Bohayra Mortazavi, Fazel Shojaei, Xiaoying Zhuang, Masoud Shahrokhi et al.
2026-06 · DOI: 10.1016/j.commt.2026.100057Improved data-driven modeling of sustainable high Tg polymers through topological feature analysis and enhanced property distribution
Qinrui Liu, Michael Forrester, Eric W. Cochran, George A. Kraus et al.
2026-06 · DOI: 10.1016/j.commt.2026.100054Extreme quantum confinement and emergent phenomena in one-dimensional atomic wires
Yanyan Zhao, Si Zhou, Nanshu Liu, Lixing Kang et al.
2026-06 · DOI: 10.1016/j.commt.2026.100050Machine-learning-guided discovery of direct-gap Si-Ge alloys in hexagonal and orthorhombic silicon allotropes
Shuo Tao, Li Zhu
2026-03 · DOI: 10.1016/j.commt.2025.100045Engineering strain-induced direct bandgap in high-order silicon polytypes
Mangladeep Bhullar, Yansun Yao
2026-03 · DOI: 10.1016/j.commt.2026.100047First-principles yet high-throughput screening of grafting-modified electronic structure in polymer insulator design
Han Liu, Sen Meng, Zhengyuan Chen, Shitong Wang et al.
2026-03 · DOI: 10.1016/j.commt.2026.100049Deepcluster agent to search global minimum of nanoclusters using deep reinforcement learning: A review
Moeed Bin Qamar, Adeel Ahmad, Muhammad Usman, Shahzad Ahmad et al.
2026-03 · DOI: 10.1016/j.commt.2026.100048Reviews
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October 4, 2026 at 9:02 pm
October 2, 2026