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Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

In additive manufacturing (AM), particularly for laser-based metal AM, process optimization is crucial to the quality of products and the efficiency of production. The identification of optimal process parameters out of a vast parameter…

Materials Science · Physics 2024-07-25 Xiao Shang , Evelyn Li , Ajay Talbot , Haitao Wen , Tianyi Lyu , Jiahui Zhang , Yu Zou

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Artificial intelligence (AI) is currently spearheaded by machine learning (ML) methods such as deep learning which have accelerated progress on many tasks thought to be out of reach of AI. These recent ML methods are often compute hungry,…

Machine Learning · Computer Science 2025-03-25 Dustin Wright , Christian Igel , Gabrielle Samuel , Raghavendra Selvan

Numerical simulations have revolutionized the industrial design process by reducing prototyping costs, design iterations, and enabling product engineers to explore the design space more efficiently. However, the growing scale of simulations…

Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to…

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…

Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, and chemistry communities. This perspective article identifies…

Materials Science · Physics 2020-03-20 Brian DeCost , Jason Hattrick-Simpers , Zachary Trautt , Aaron Kusne , Eva Campo , Martin Green

The role of artificial intelligence (AI) in material science and engineering (MSE) is becoming increasingly important as AI technology advances. The development of high-performance computing has made it possible to test deep learning (DL)…

Machine Learning · Computer Science 2023-04-28 Lipichanda Goswami , Manoj Deka , Mohendra Roy

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Smart Manufacturing refers to optimization techniques that are implemented in production operations by utilizing advanced analytics approaches. With the widespread increase in deploying Industrial Internet of Things (IIoT) sensors in…

Machine Learning · Computer Science 2020-09-01 Mohammadhossein Ghahramani , Yan Qiao , MengChu Zhou , Adrian OHagan , James Sweeney

The rapid evolution of Artificial Intelligence (AI) and Machine Learning (ML) has significantly transformed logistics and supply chain management, particularly in the pursuit of sustainability and eco-efficiency. This study explores…

Computational screening has become a powerful complement to experimental efforts in the discovery of high-performance photovoltaic (PV) materials. Most workflows rely on density functional theory (DFT) to estimate electronic and optical…

Materials Science · Physics 2025-07-18 Matthew Walker , Keith T. Butler

The quality of the part fabricated from the Additive Manufacturing (AM) process depends upon the process parameters used, and therefore, optimization is required for apt quality. A methodology is proposed to set these parameters…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Sunita Khod , Akshay Dvivedi , Mayank Goswami

Artificial intelligence (AI) is rapidly emerging as an enabling tool for solving various complex materials design problems. This paper aims to review recent advances in AI-driven materials-by-design and their applications to energetic…

Materials Science · Physics 2023-05-12 Joseph B. Choi , Phong C. H. Nguyen , Oishik Sen , H. S. Udaykumar , Stephen Baek

The performance of battery materials is determined by their composition and the processing conditions employed during commercial-scale fabrication, where raw materials undergo complex processing steps with various additives to yield final…

Signal Processing · Electrical Eng. & Systems 2025-05-27 Seon-Hwa Lee , Insoo Ye , Changhwan Lee , Jieun Kim , Geunho Choi , Sang-Cheol Nam , Inchul Park

Aquatic organisms are known for their ability to generate efficient propulsion with low energy expenditure. While existing research has sought to leverage bio-inspired structures to reduce energy costs in underwater robotics, the crucial…

Robotics · Computer Science 2025-06-06 Xinyu Cui , Boai Sun , Yi Zhu , Ning Yang , Haifeng Zhang , Weicheng Cui , Dixia Fan , Jun Wang

Topology optimization (TO) is a popular and powerful computational approach for designing novel structures, materials, and devices. Two computational challenges have limited the applicability of TO to a variety of industrial applications.…

Computational Engineering, Finance, and Science · Computer Science 2020-12-01 Sirui Bi , Jiaxin Zhang , Guannan Zhang