Papers citing Recent trends in computational tools and data-driven modeling for advanced materials
Transforming Computational Nanotechnology: Accelerating Material Discovery, Design, and Property Prediction through Soft Computing Techniques
ACS Applied Electronic Materials · 2025
Hirendra Das, Mridusmita Sharma
Read original paper ↗ ·A Review of Static and Dynamic Analysis in Functionally Graded Materials with Material Nonlinearities
Mechanics of Solids · 2025
Juneed Yawar, Mohammad Mursaleen Butt, Sheikh Nazir Ahmad, V. L. Sateesh
Read original paper ↗ ·Future Manufacturing with AI-Driven Particle Vision Analysis in the Microscopic World
Engineering · 2025
Guangyao Chen, Fengqi You
Read original paper ↗ ·Molecular dynamics simulations of proteins: an in-depth review of computational strategies, structural insights, and their role in medicinal chemistry and drug development
Biological Cybernetics · 2025
Bita Farhadi, Mahnoush Beygisangchin, Nakisa Ghamari, Jaroon Jakmunee, Tang Tang
Read original paper ↗ ·How do transport mechanisms shape material design in RO membranes? A molecular dynamics perspective
Desalination and Water Treatment · 2025
Mohd Muzammil Zubair, Ali M. Alshami, Syed Javaid Zaidi
Read original paper ↗ ·Interdisciplinary Synthesis in Architecture: A Comparative Study of Technological Innovation and Cultural Agency
International Journal of Architectural Engineering Technology · 2025
Tapashi Kashyap Das, Kishore Dutta
Read original paper ↗ ·A Brief Review on the Exploration of Nanocomposites and Their Properties Through Computational Methods for Biological Activity Evaluation
Venue not supplied by source · 2025
Nashra Fatima, Ekhlakh Veg, Tahmeena Khan
Read original paper ↗ ·Density Functional Theory: A Quantum Mechanical Framework for Novel Materials Design
Journal of Engineering Science and Technological Trends · 2025
Mubashar Ali
Read original paper ↗ ·Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning
Discover Chemistry. · 2025
Adekunle Babajide Rowaiye, Abiodun Abidemi Folarin, Tobilola O. Akingbade, Joy C. Okoli, Oluwabukunmi Ifedamola Rowaiye, Temitope Ruth Folorunso, Doofan Bur
Read original paper ↗ ·Nb2O5 solid solution in corundum: experimental evidence beyond thermodynamic predictions
Ceramics International · 2025
Vânia Regina Salvini, M.F. Santos, O.H. Borges, Luís Otávio Zaparoli Falsetti, J. A. Rodrigues, Paschoal Bonadia, E.F.O. Silva, J.B.F. Neto, A.A. Campos, V. C. Pandolfelli
Read original paper ↗ ·Computational Methods for Predicting Material Properties in Industry 4.0
Springer tracts in mechanical engineering · 2026
Христина Володимирівна Берладір
Read original paper ↗ ·Computational tools in the development of new ceramic materials
Elsevier eBooks · 2026
Oluwaseye Samson Adedoja, Rotimi Sadiku, Yskandar Hamam
Read original paper ↗ ·Data-driven materials discovery for inverted perovskite solar cells: machine learning in screening, design, and performance optimization
Journal of Materials Chemistry A · 2026
Xing Qiang Zhao, Xiaohang Hao, Min Wang, Yu Zhang, Junjie Zhou, Bingbing Fan, Meicheng Li
Read original paper ↗ ·Metallic biomaterials in soft tissue fixation: Applications in wound closure, tendon repair, and vascular ligation
Smart Materials in Manufacturing · 2026
Delaram Balu, Alireza Nouri, Anahita Rohani Shirvan, Samin Yousefi
Read original paper ↗ ·Perspectives on modeling/simulation of nanofibers/hybrid nanofibers
Elsevier eBooks · 2026
Ayesha Kausar
Read original paper ↗ ·Conservative data-driven finite element framework with adaptive hp-refinement for diffusion problems with material uncertainty
Computer Methods in Applied Mechanics and Engineering · 2026
Adriana Kuliková, Andrei G. Shvarts, Łukasz Kaczmarczyk, Chris J. Pearce
Read original paper ↗ ·From Processing to Performance: Innovations and Challenges in Ceramic-Based Materials
Crystals · 2026
Sachin Kumar Sharma, Sandra Gajević, Lokesh Kumar Sharma, Yogesh Sharma, Mohit Sharma, Saša Milojević, Slobodan R. Savić, Blaža Stojаnović
Read original paper ↗ ·Multiscale modeling and simulation of composite materials: Methods, AI integration, and challenges
Materials Today Communications · 2026
Rasel Ahemd, Kamrul Hasan Manik, Md Ahsan Habib, Md. Aditto Rahman Nirob, Antu Nath, Md. Shaharia Hossen, Juhi Jannat Mim, Nayem Hossain
Read original paper ↗ ·Insight into high-entropy oxides as anodes, cathodes, and solid-state electrolytes for advancing Li-ion batteries: A comprehensive review
Journal of Energy Storage · 2026
Shrikanth G.K., Takaaki Tomai, Guddappa Halligudra, Sudhakar Y.N., Chandrakantha Bekal, Padmaraj NH, Saraswati Kulkarni, K. G. Raghavendra, S. Chetana, Manjunath Shetty
Read original paper ↗ ·Capturing the Multiscale Nature of Bone Behavior: Classical, Data-Driven and Hybrid Techniques
Annals of Biomedical Engineering · 2026
Melika Mohammadkhah, Ardeshir Savari, Sandra Klinge
Read original paper ↗ ·Machine learning-driven SSbD strategy for discovering next-generation anodes in solid oxide electrolysis cells
International Journal of Hydrogen Energy · 2026
Dawid Falkowski, Alicja Mikołajczyk, Piotr Skurski, Jakub Brzeski, Tomasz Puzyn
Read original paper ↗ ·Integration of sustainable nanotechnology with artificial intelligence of things (AIoT) for environmental applications
TrAC Trends in Analytical Chemistry · 2026
Monika Nehra, Aman Kumar, Aman Kumar, Akshay Kumar, Akshay Kumar, Ajeet Kumar Kaushik, Sandeep Kumar
Read original paper ↗ ·From Quantum Mechanics to Coarse-Grained Models: Bridging the Gap toward Polymer Rational Design
Journal of Chemical Theory and Computation · 2026
Abderrahmane Semmeq, Andoni Ugartemendia, Alessandro Mossa, Serena Coiai, Giorgia Brancolini, Giacomo Prampolini
Read original paper ↗ ·Progress in Catalytic Roles of Hexagonal Boron Nitride in Oxidative Dehydrogenation, Water Splitting, and Pollutant Degradation
Comments on Inorganic Chemistry · 2026
Pervaiz Ahmad, Awais Khalid
Read original paper ↗ ·Polymer informatics: Integrating data‐driven strategies, advanced machine learning, and automated synthesis for next‐generation polymer design
InfoScience. · 2026
Md Saiful Islam, Tamanna Hoque, Junied Islam Shuvo, Sheta Roy Tori, Sadit Bihongo Malitha, Md. Zahangir Alam, A K A Chowdhury
Read original paper ↗ ·Thermodynamic properties of liquid mixtures: Benchmarking the transferability of general purpose and quantum-mechanically derived force fields
Journal of Molecular Liquids · 2026
J. Pablo Galvez, Javier Cerezo, Giacomo Prampolini
Read original paper ↗ ·Computer simulation of polymer nanocomposites: Challenges and perspectives
Fluid Phase Equilibria · 2026
Adri Escañuela-Copado, Daniel Valero, Giuliana Giunta, Alberto Martín‐Molina, Alessandro Patti
Read original paper ↗ ·Polymer-based hydrogen barrier coatings: Material design, mechanisms, and theoretical simulation
Chemical Engineering Journal · 2026
Zhuofan Li, Zhibin Chen, Lingwei Ma, Jinke Wang, Xiang Guo, Rui Tian, Bowen Zhang, Huaiyuan Wang, Dawei Zhang
Read original paper ↗ ·Machine learning and AI-driven digital twins in manufacturing of advanced metal alloys and compounds: A review
Next Materials · 2026
Mohsen Soori, Behrooz Arezoo
Read original paper ↗ ·Artificial intelligence-assisted design and optimization of radiation shielding materials for medical applications
Journal of Radiation Research and Applied Sciences · 2026
Ruth Kanyana, Living Ounyesiga, Afam Uzorka
Read original paper ↗ ·From molecular descriptors to data-driven design: Multiscale modelling and machine learning for shape memory polymers
Next Materials · 2026
Peerawat Prathumrat, Manunya Okhawilai, Mostafa Nikzad, Elnaz Hajizadeh
Read original paper ↗ ·Microwave-assisted green synthesis of ZnO/polyacrylamide hybrids: A study on interfacial stabilization and predicted degradation pathways for cefuroxime
Materials Today Communications · 2026
Md Ashaduzzaman, Rassel Kabir, H.N. Mahmudul Hasan, Md. Kaium Hossain, Shaikat Chandra Dey, Ashutosh Tiwari
Read original paper ↗ ·Microstructural images reconstruction of heterogeneous materials using generative adversarial networks
Materials & Design · 2026
Ziyue Sun, Chengcheng Shen, Shouyi Wang, Haifeng Zhao, Liang Jiang
Read original paper ↗ ·Artificial intelligence for advanced alloy: multiscale simulation, intelligent manufacturing, high-throughput characterization, and service performance intelligent assessment
Progress in Materials Science · 2026
Wenwang Wu, Kang Xu, Xianli Yang, Qiutong Zhao, Shilin Mao, Dongke Sun, Tianyu Wei, Xu Zhang, Xiang Hou, Liang Zhang, Dayang Deng, Ping Yang, Pengyang Zhao, Cheng Wen, Liying Wu, Ruxue Liu, Rui Zhang, Zhiqiang Hu, Zhengming Sun
Read original paper ↗ ·