Results 131 to 140 of about 4,025,625 (283)

Design and optimization of processes for recovering rare earth elements from end‐of‐life permanent magnets

AIChE Journal, EarlyView.
Abstract Recovery of rare earth elements (REEs) from end‐of‐life (EOL) products represents a strategic opportunity to strengthen the domestic supply chain for rare earth elements. This work presents a superstructure‐based optimization framework for finding the most economical processing pathway for different EOL rare earth permanent magnets (REPMs ...
Chris Laliwala, Oluwamayowa O. Amusat, Akintomiwa Ojo, Alejandro Garciadiego, Thomas Tarka, Debangsu Bhattacharyya, Ana I. Torres   +6 more
wiley   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

Advanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang, Jiayi Tan, Qizhen Song, Tian Du, Jens Hauch, Christoph J. Brabec   +5 more
wiley   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Flexible Memory: Progress, Challenges, and Opportunities

Advanced Intelligent Discovery, EarlyView.
Flexible memory technology is crucial for flexible electronics integration. This review covers its historical evolution, evaluates rigid systems, proposes a flexible memory framework based on multiple mechanisms, stresses material design's role, presents a coupling model for performance optimization, and points out future directions.
Ruizhi Yuan, Sen Chen, Minghui Guo, Ziliang Cui, Yujie Du, Jing Liu   +5 more
wiley   +1 more source

Toward Environmentally Friendly Hydrogel‐Based Flexible Intelligent Sensor Systems

Advanced Intelligent Discovery, EarlyView.
This review summarizes environmentally and biologically friendly hydrogel‐based flexible sensor systems focusing on physical, chemical, and physiological sensors. Furthermore, device concepts moving forward for the practical application are discussed about wireless integration, the interface between hydrogel and dry electronics, automatic data analysis
Sudipta Kumar Sarkar, Kuniharu Takei
wiley   +1 more source

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

Advanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar, Tiago L. P. Galvão, José D. Gouveia, José R. B. Gomes   +3 more
wiley   +1 more source

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

Advanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir, Miguel Hernández‐del‐Valle, Christina Schenk, De‐Yi Wang, Maciej Haranczyk   +4 more
wiley   +1 more source

Artificial Intelligence‐Driven Insights into Electrospinning: Machine Learning Models to Predict Cotton‐Wool‐Like Structure of Electrospun Fibers

Advanced Intelligent Discovery, EarlyView.
Electrospinning allows the fabrication of fibrous 3D cotton‐wool‐like scaffolds for tissue engineering. Optimizing this process traditionally relies on trial‐and‐error approaches, and artificial intelligence (AI)‐based tools can support it, with the prediction of fiber properties. This work uses machine learning to classify and predict the structure of
Paolo D’Elia, Giovanna Pappalardo, Aldo R. Boccaccini, Liliana Liverani   +3 more
wiley   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source