{
  "abstract": "Artificial intelligence (AI) is transforming the way materials are designed, understood, and manufactured. This Perspective examines how recent advances in data‐driven modeling, high‐performance simulation, and autonomous experimentation are converging to accelerate the discovery of functional materials for next‐generation technologies—from energy storage and biomedicine to nanoelectronics and quantum devices. We outline ongoing strategies to embed AI across the materials design workflow—from synthesis and characterization to large‐scale simulations enabled by machine learning techniques and approaching ab initio accuracy—and discuss key challenges that remain on the path toward intelligent (bio)materials discovery.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 39,
  "authors": [
    {
      "name": "Cristiano Malica"
    },
    {
      "name": "Kostya S Novoselov"
    },
    {
      "name": "Seongmin Kim"
    },
    {
      "name": "Yousung Jung"
    },
    {
      "name": "Silvana Botti"
    },
    {
      "name": "Miguel a L Marques"
    },
    {
      "name": "Tigany Zarrouk"
    },
    {
      "name": "Miguel A Caro"
    },
    {
      "name": "Sanggyu Chong"
    },
    {
      "name": "Michele Ceriotti"
    },
    {
      "name": "Marivi Fernandez‐serra"
    },
    {
      "name": "Sara Navarro‐rodriguez"
    },
    {
      "name": "Aakash Ashok Naik"
    },
    {
      "name": "Janine George"
    },
    {
      "name": "Ömer Hasan Omar"
    },
    {
      "name": "Victor Trinquet"
    },
    {
      "name": "Gian‐marco Rignanese"
    },
    {
      "name": "Andrey Ustyuzhanin"
    },
    {
      "name": "Sonia Conesa‐boj"
    },
    {
      "name": "Juan Rojo"
    },
    {
      "name": "Minh‐tuan Dau"
    },
    {
      "name": "Simon M.‐m. Dubois"
    },
    {
      "name": "Jean‐christophe Charlier"
    },
    {
      "name": "Jose H Garcia"
    },
    {
      "name": "Romain Gautier"
    },
    {
      "name": "Rachid Laref"
    },
    {
      "name": "Junfeng Qiao"
    },
    {
      "name": "Giovanni Pizzi"
    },
    {
      "name": "Nicola Marzari"
    },
    {
      "name": "Camilla Coletti"
    },
    {
      "name": "Antonio Rossi"
    },
    {
      "name": "Jan‐lucas Uslu"
    },
    {
      "name": "Chiara Zanardi"
    },
    {
      "name": "Vincenzo Palermo"
    },
    {
      "name": "Wide Hogenhout"
    },
    {
      "name": "Natalia Konchakova"
    },
    {
      "name": "Peter Klein"
    },
    {
      "name": "Tejs Vegge"
    },
    {
      "name": "Stephan Roche"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/09a95r6c6cpe2.bib",
  "cited_by": 0,
  "doi": "10.1002/aisy.70496",
  "fulltext_url": null,
  "id": "09a95r6c6cpe2",
  "issns": [
    "2640-4567"
  ],
  "landing_url": "https://hal.science/hal-05748496v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.chim"
    ],
    [
      "hal",
      "1.chim.mate"
    ],
    [
      "openalex",
      "2505|Machine Learning in Materials Science"
    ]
  ],
  "openalex": "W7204208973",
  "pdf_url": "https://hal.science/hal-05748496/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-25",
  "publisher": "Wiley",
  "ris": "https://research.draconitic.com/paper/09a95r6c6cpe2.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:34Z",
      "native_id": "hal-05748496",
      "source": "hal",
      "url": "https://hal.science/hal-05748496v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "hal:1.chim.mate",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers",
  "title_text": "Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:34Z",
  "url": "https://research.draconitic.com/paper/09a95r6c6cpe2",
  "venue": "Advanced Intelligent Systems",
  "versions": []
}