Results 111 to 120 of about 5,089 (214)

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

open access: yesAdvanced 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   +4 more
wiley   +1 more source

Design and Synthesis of Enzyme Inhibitors Against Infectious Diseases [Elektronisk resurs] : Targeting Hepatitis C Virus NS3 Protease and Mycobacterium tuberculosis Ribonucleotide Reductase

open access: yes, 2012
Infectious diseases, including hepatitis C and tuberculosis, claim the lives of over 15 million people each year. Hepatitis C is caused by the hepatitis C virus (HCV) which infects the liver and can ultimately result in liver transplantation. HCV is very
Gising, Johan,   +3 more
core  

Organic Photoelectrochemical Cells Beyond Performance: Interface and Catalyst Engineering for Durability

open access: yesAdvanced Energy Materials, EarlyView.
Organic photoelectrochemical cells based on π‐conjugated semiconductors offer a versatile platform for solar fuel generation. This review outlines operating principles, device architectures, and key metrics, and highlights advances in p‐ and n‐type photoelectrodes, interfacial engineering, and catalyst integration.
Jaehyeong Kim   +8 more
wiley   +1 more source

Complex Iridium Oxides Converge In Structure And Reactivity During Acidic Oxygen Evolution Electrocatalysis

open access: yesAdvanced Energy Materials, EarlyView.
Ir‐based double perovskites restructure during acidic oxygen evolution electrocatalysis through dissolution of non‐Ir cations and convergence toward IrOx active‐site motifs with similar structure and intrinsic activity across compositions. The identity of the dissolving cations controls dissolution and surface reconstruction kinetics, clarifying how ...
Harrison H. Lippie   +5 more
wiley   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

open access: yesAdvanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian   +12 more
wiley   +1 more source

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan   +3 more
wiley   +1 more source

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