Frontiers in Materials | Computational Materials Science

Original Research

Published on 20 Jan 2026

Deep learning-based image classification for microstructural analysis in computational materials science

in Computational Materials Science

Haiyan Liu
Penghua Zhu
Chenyu Tan

Frontiers in Materials

doi 10.3389/fmats.2025.1648653

1,013 views

Original Research

Published on 08 Jan 2026

Rapid non-contact detection of aggregate gradation based on stereo vision

in Computational Materials Science

Yanzhen Li
Bo Zang
Zhiyong Huang
Jiaming Tang

Frontiers in Materials

doi 10.3389/fmats.2025.1745325

615 views

Original Research

Published on 07 Jan 2026

Physics-informed neural network–transformer for dual-objective prediction and mix optimization of backfill materials

in Computational Materials Science

Huizhen Liang
Yueying Zhang
Chengmi Xiang
Shanshan Fei
Han Wei
Bei Han
Aijun Zhang

Frontiers in Materials

doi 10.3389/fmats.2025.1737888

753 views

Review

Published on 06 Jan 2026

Data-driven AI approaches for screening high-efficiency, stable, and lead-free perovskite photovoltaic materials: a review

in Computational Materials Science

Beibei Wang
Juan Wang
Liping Li
Dengwu Wang

Frontiers in Materials

doi 10.3389/fmats.2025.1669229

868 views

Original Research

Accepted on 22 Dec 2025

Intelligent pavement moduli back-calculation using an SEM–Transformer framework

in Computational Materials Science

Guozhong Wang
Yanqing Zhao

Frontiers in Materials

351 views

Original Research

Accepted on 27 Oct 2025

Defect Identification and Classification of Fair-faced Concrete based on Feature Enhancement

in Computational Materials Science

Yan Li
Bing Ling
Zhexiong Shang

Frontiers in Materials

355 views

Mini Review

Published on 22 Oct 2025

Modeling and design of micro-structures: focusing on functionally graded materials and future prospects

in Computational Materials Science

Tohru Hirano

Frontiers in Materials

doi 10.3389/fmats.2025.1659727

2,603 views

Original Research

Published on 25 Sep 2025

Development of defect localization method for perforated carbon-fiber-reinforced plastic specimens using finite element method and graph neural network

in Computational Materials Science

Keisuke Nishioka
Yuta Kojima
Toshiya Saito
Kosuke Kawakami
Masahito Washiya
Mayu Muramatsu

Frontiers in Materials

doi 10.3389/fmats.2025.1652484

2,344 views

Original Research

Published on 23 Sep 2025

Research on predicting flow stress of 7075 aluminum alloy using machine learning models

in Computational Materials Science

Qiang Wen
Zishen Cao
Sida Yang
Haoyu Tan
Fengzhan Zhou
Jiantao Yin
Tianhao Wang
Zhuo Qian
Guoyou Gan

Frontiers in Materials

doi 10.3389/fmats.2025.1671753

2,248 views

Original Research

Published on 29 Aug 2025

Detection of wood grain defects based on edge prior aggregation

in Computational Materials Science

Weijian Sun
Xu Cheng

Frontiers in Materials

doi 10.3389/fmats.2025.1635222

2,051 views

Review

Published on 08 Aug 2025

Computational methods and artificial intelligence-based modeling of magnesium alloys: a systematic review of machine learning, deep learning, and data-driven design and optimization approaches

in Computational Materials Science

Hanxuan Wang
Raman Kumar
Ashutosh Pattanaik
Rajender Kumar
Ali Saeed Owayez Khawaf Aljaberi
Mayada Ahmed Abass

Frontiers in Materials

doi 10.3389/fmats.2025.1645227

5,621 views
1 citation

Original Research

Published on 30 Jul 2025

TiAlNb alloy interatomic potentials: comparing passive and active machine learning techniques with MTP and DeePMD

in Computational Materials Science

Anju Chandran
Archa Santhosh
Claudio Pistidda
Paul Jerabek
Roland C. Aydin
Christian J. Cyron

Frontiers in Materials

doi 10.3389/fmats.2025.1591955

2,527 views

Original Research

Published on 18 Jul 2025

Enhancing phase change thermal energy storage material properties prediction with digital technologies

in Computational Materials Science

Minghao Yu
Jing Liu
Cheng Chen
Mingyue Li

Frontiers in Materials

doi 10.3389/fmats.2025.1616233

2,321 views

Original Research

Published on 02 Jul 2025

Rapid mold optimization based on ultraviolet curing 3D printing technology

in Computational Materials Science

Hanyu Rao
Xinyu Bai
Wen Yan
Jie Liu

Frontiers in Materials

doi 10.3389/fmats.2025.1605771

2,058 views

Original Research

Published on 06 Jun 2025

Digitized material design and performance prediction driven by high-throughput computing

in Computational Materials Science

Hanhui Li
Jiao Yang
Jingxu Yao
Chuanxin Sheng

Frontiers in Materials

doi 10.3389/fmats.2025.1599439

3,562 views
1 citation

Original Research

Published on 14 Apr 2025

Classification, identification, and quantitative study of defects in aluminum plates using pulsed alternating current field measurement combined with principal component analysis

in Computational Materials Science

Qingxiao Kong
Shuwei Pan
Lilong Lin
Xinfeng Li

Frontiers in Materials

doi 10.3389/fmats.2025.1569055

1,692 views

Original Research

Published on 08 Apr 2025

Deep learning-driven medical image analysis for computational material science applications

in Computational Materials Science

Li Lu
Mingpei Liang

Frontiers in Materials

doi 10.3389/fmats.2025.1583615

5,804 views
3 citations

Original Research

Published on 21 Jan 2025

Explainable AutoML models for predicting the strength of high-performance concrete using Optuna, SHAP and ensemble learning

in Computational Materials Science

Muhammad Salman Khan
Tianbo Peng
Muhammad Adeel Khan
Asad Khan
Mahmood Ahmad
Kamran Aziz
Mohanad Muayad Sabri Sabri
N. S. Abd EL-Gawaad

Frontiers in Materials

doi 10.3389/fmats.2025.1542655

3,356 views
10 citations

Original Research

Published on 11 Dec 2024

Influence of microstructure on the wettability of tobacco leaves: a theoretical model and quantitative analysis

in Computational Materials Science

Jinxin Tie
Binfeng Shen
Yuehui Qiao
Wei Zhao
Ronghua Xu
Miao Wang
Kecheng Li
Jie Qian

Frontiers in Materials

doi 10.3389/fmats.2024.1485713

2,139 views
1 citation

Original Research

Published on 05 Dec 2024

Comparative flank wear and produced chips types analysis of CNMG 120408 indexable cutting inserts after machining hardened 1.6582 steel

in Computational Materials Science

Karel Šramhauser
Pavel Kraus
Pavel Černý
Pavel Kříž
František Špalek
Roman Horký
Tomáš Zoubek
Vladimír Vochozka

Frontiers in Materials

doi 10.3389/fmats.2024.1432039

1,463 views

Original Research

Published on 14 Nov 2024

Prediction and analysis of strength and economic feasibility of filling materials under the influence of mix proportion and curing age

in Computational Materials Science

Yueying Zhang
Huizhen Liang
Shanshan Fei
Aijun Zhang
Juan Yu
Xuebin Qin

Frontiers in Materials

doi 10.3389/fmats.2024.1428859

1,426 views

Original Research

Published on 23 Oct 2024

Glass transition temperature of asphalt binder based on atomistic scale simulation

in Computational Materials Science

Yongwei Fang
Yingying Pang
Jiandong Zhang
Yihan Nie
Hongquan Lu

Frontiers in Materials

doi 10.3389/fmats.2024.1485669

2,076 views
2 citations

Original Research

Published on 22 Oct 2024

Modelling the properties of aerated concrete on the basis of raw materials and ash-and-slag wastes using machine learning paradigm

in Computational Materials Science

Olga Rudenko
Darya Galkina
Marzhan Sadenova
Nail Beisekenov
Monika Kulisz
Meiram Begentayev

Frontiers in Materials

doi 10.3389/fmats.2024.1481871

3,760 views
8 citations

Original Research

Published on 10 Oct 2024

Enhancing material property prediction with ensemble deep graph convolutional networks

in Computational Materials Science

Chowdhury Mohammad Abid Rahman
Ghadendra Bhandari
Nasser M. Nasrabadi
Aldo H. Romero
Prashnna K. Gyawali

Frontiers in Materials

doi 10.3389/fmats.2024.1474609

4,451 views
10 citations

200 articles

articles

Deep learning-based image classification for microstructural analysis in computational materials science

Rapid non-contact detection of aggregate gradation based on stereo vision

Physics-informed neural network–transformer for dual-objective prediction and mix optimization of backfill materials

Data-driven AI approaches for screening high-efficiency, stable, and lead-free perovskite photovoltaic materials: a review

Intelligent pavement moduli back-calculation using an SEM–Transformer framework

Defect Identification and Classification of Fair-faced Concrete based on Feature Enhancement

Modeling and design of micro-structures: focusing on functionally graded materials and future prospects

Development of defect localization method for perforated carbon-fiber-reinforced plastic specimens using finite element method and graph neural network

Research on predicting flow stress of 7075 aluminum alloy using machine learning models

Detection of wood grain defects based on edge prior aggregation

Computational methods and artificial intelligence-based modeling of magnesium alloys: a systematic review of machine learning, deep learning, and data-driven design and optimization approaches

TiAlNb alloy interatomic potentials: comparing passive and active machine learning techniques with MTP and DeePMD

Enhancing phase change thermal energy storage material properties prediction with digital technologies

Rapid mold optimization based on ultraviolet curing 3D printing technology

Digitized material design and performance prediction driven by high-throughput computing

Classification, identification, and quantitative study of defects in aluminum plates using pulsed alternating current field measurement combined with principal component analysis

Deep learning-driven medical image analysis for computational material science applications

Explainable AutoML models for predicting the strength of high-performance concrete using Optuna, SHAP and ensemble learning

Influence of microstructure on the wettability of tobacco leaves: a theoretical model and quantitative analysis

Comparative flank wear and produced chips types analysis of CNMG 120408 indexable cutting inserts after machining hardened 1.6582 steel

Prediction and analysis of strength and economic feasibility of filling materials under the influence of mix proportion and curing age

Glass transition temperature of asphalt binder based on atomistic scale simulation

Modelling the properties of aerated concrete on the basis of raw materials and ash-and-slag wastes using machine learning paradigm

Enhancing material property prediction with ensemble deep graph convolutional networks