Results 121 to 130 of about 28,680 (263)

Uncovering the Role of Intrinsic Magnetic Order in Oxygen Evolution Reaction Activity With Operando Spectroscopy

Advanced Energy Materials, EarlyView.
Operando magnetic spectroscopy provides insight into how intrinsic magnetic order modulates the oxygen evolution reaction on La0.67Sr${\rm La}_{0.67}{\rm Sr}$0.33MnO$_{0.33}{\rm MnO}$3$_3$ thin films. Temperature‐dependent operando FMR and ambient‐pressure XMCD suggest a correlation between activity and the emergence of ferromagnetic regions near and ...
Emma van der Minne, Silvia Mauri, Anatoliy A. Vereshchagin, Vadim Ratovskii, Ellen M. Kiens, Hemanita Sharma, Jan Behrends, Piero Torelli, Gertjan Koster, Christoph Baeumer   +9 more
wiley   +1 more source

Machine learning discovers new champion codes

npj Artificial Intelligence
Linear error-correcting codes form the mathematical backbone of modern digital communication and storage systems, but identifying champion linear codes (linear codes achieving or exceeding the best known minimum Hamming distance) remains challenging.
Yang-Hui He, Alexander M. Kasprzyk, Q Le, Dmitrii Riabchenko   +3 more
doaj   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 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

Toward Capacitive In‐Memory‐Computing: A Device to Systems Level Perspective on the Future of Artificial Intelligence Hardware

Advanced Intelligent Discovery, EarlyView.
Capacitive, charge‐domain compute‐in‐memory (CIM) stores weights as capacitance,eliminating DC sneak paths and IR‐drop, yielding near‐zero standbypower. In this perspective, we present a device to systems level performance analysis of most promising architectures and predict apathway for upscaling capacitive CIM for sustainable edge computing ...
Kapil Bhardwaj, Ella Paasio, Sayani Majumdar   +2 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

Advanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen, Tushar Singh Thakur, Manuel Dillenz, Johan M. Carlsson, Celso R. C. Rêgo, Eibar Flores, Hamidreza Hajiyani, Felix Hanke, Juan María García Lastra, Wolfgang Wenzel, Nicola Marzari, Tejs Vegge, Giovanni Pizzi, Ivano E. Castelli   +13 more
wiley   +1 more source

Overcoming the Nyquist Limit in Molecular Hyperspectral Imaging by Reinforcement Learning

Advanced Intelligent Discovery, EarlyView.
Explorative spectral acquisition guide automatically selects informative spectral bands to optimize downstream tasks, outperforming full‐spectrum acquisition. The selected hyperspectral data are used for tasks such as unmixing and segmentation. BandOptiNet encodes selection states and outputs optimal bands to guide spectral acquisition. Recent advances
Xiaobin Tang, Yongqing Zhang, Xinyu Deng, Hyeon Jeong Lee, Delong Zhang   +4 more
wiley   +1 more source

Parametric Analysis of Spiking Neurons in 16 nm Fin Field‐Effect Transistor Technology

Advanced Intelligent Discovery, EarlyView.
Energy efficient computing has driven a shift toward brain‐inspired neuromorphic hardware. This study explores the design of three distinct silicon neuron topologies implemented in 16 nm fin field‐Effect transistor technology. While the Axon‐Hillock design achieves gigahertz throughput, its functional fragility persists. The Morris–Lecar model captures
Logan Larsh, Raiyan Siddique, Sarah S. Sharif, Yaser Mike Banad   +3 more
wiley   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

Advanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary, Nicholas Ballard   +1 more
wiley   +1 more source