3.3AIAug 18, 2025Code
"DIVE" into Hydrogen Storage Materials Discovery with AI AgentsDi Zhang, Xue Jia, Tran Ba Hung et al.
Data-driven artificial intelligence (AI) approaches are fundamentally transforming the discovery of new materials. Despite the unprecedented availability of materials data in the scientific literature, much of this information remains trapped in unstructured figures and tables, hindering the construction of large language model (LLM)-based AI agent for automated materials design. Here, we present the Descriptive Interpretation of Visual Expression (DIVE) multi-agent workflow, which systematically reads and organizes experimental data from graphical elements in scientific literatures. We focus on solid-state hydrogen storage materials-a class of materials central to future clean-energy technologies and demonstrate that DIVE markedly improves the accuracy and coverage of data extraction compared to the direct extraction by multimodal models, with gains of 10-15% over commercial models and over 30% relative to open-source models. Building on a curated database of over 30,000 entries from 4,000 publications, we establish a rapid inverse design workflow capable of identifying previously unreported hydrogen storage compositions in two minutes. The proposed AI workflow and agent design are broadly transferable across diverse materials, providing a paradigm for AI-driven materials discovery.
10.4CHEM-PHJun 18
Empowering Polymeric Materials Discovery by Artificial IntelligenceChenyao Ma, Linda Zhang, Yuheng Chen et al.
Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionally challenging because material performance emerges from complex interactions among molecular composition, chain architecture, processing history and hierarchical structural evolution across multiple length and time scales. Consequently, polymer research has long relied on labor-intensive experimentation and fragmented modeling approaches, limiting both mechanistic understanding and innovation efficiency. Recent advances in data infrastructure, machine learning, large artificial intelligence (AI) models and laboratory automation are beginning to reshape this landscape. Rather than functioning as isolated tools, polymer databases, predictive models, AI agents and automated laboratories are increasingly converging into interconnected discovery ecosystems. As a result, the central challenge is shifting from improving predictive accuracy alone to enabling reliable decision-making, adaptive learning and seamless integration across computation, experimentation and scientific reasoning. We argue that polymer science is entering an era of autonomous discovery, in which data, simulation, reasoning and experimentation operate within self-improving feedback loops that continuously generate hypotheses, design materials, execute experiments and refine predictive models. By unifying molecular design, process optimization, experimental validation and industrial translation, such autonomous ecosystems establish a more predictive, reproducible and scalable paradigm for polymer innovation, fundamentally transforming how polymer research is conducted.
6.8CRApr 24, 2019
Security Analysis of Near-Field Communication (NFC) PaymentsDennis Giese, Kevin Liu, Michael Sun et al.
Near-Field Communication (NFC) is a modern technology for short range communication with a variety of applications ranging from physical access control to contactless payments. These applications are often heralded as being more secure, as they require close physical proximity and do not involve Wi-Fi or mobile networks. However, these systems are still vulnerable to security attacks at the time of transaction, as they require little to no additional authentication from the user's end. In this paper, we propose a method to attack mobile-based NFC payment methods and make payments at locations far away from where the attack occurs. We evaluate our methods on our personal Apple and Google Pay accounts and demonstrate two successful attacks on these NFC payment systems.