Digital Discovery, 2025, 4,539-547DOI: 10.1039/D4DD00350K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Erwin Lam, Tanguy Maury, Sebastian Preiss, Yuhui Hou, Hannes Frey, Cater…
Digital Discovery, 2025, 4,548-560DOI: 10.1039/D4DD00332B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Emil I. Jaffal, Sangjoon Lee, Danila Shiryaev, Alex Vtorov, Nikhil Kumar…
Digital Discovery, 2025, 4,500-512DOI: 10.1039/D4DD00319E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Christophe Bajan, Guillaume LambardThis study establishes a performance baseline for 1…
Digital Discovery, 2025, 4,301-302DOI: 10.1039/D4DD90053G, Editorial Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alan Aspuru-Guzik, Jason E. Hein, Joshua SchrierIntroducing Commit, a new article …
Digital Discovery, 2025, 4,338-342DOI: 10.1039/D4DD00318G, Communication Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Rocco Cancelliere, Mario Molinara, Antonio Licheri, Antonio Maffucci, Laura Mi…
Digital Discovery, 2025, 4,561-571DOI: 10.1039/D4DD00219A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Abdulelah S. Alshehri, Michael T. Bergman, Fengqi You, Carol K. HallEvid…
Digital Discovery, 2025, Advance ArticleDOI: 10.1039/D4DD00217B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kyungwon Kim, Hyejeong Song, Sanghun Lee, Hyeongkyu Cho, Hyung Mi …
Digital Discovery, 2025, Advance ArticleDOI: 10.1039/D4DD00301B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhengru Liu, Long Bian, Wenting Shao, Sean I. Hwang, Alexander StarAn automated …
Digital Discovery, 2025, Advance ArticleDOI: 10.1039/D4DD00395K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Tianle Yue, Lei Tao, Vikas Varshney, Ying LiThis benchmark study e…
Digital Discovery, 2025, Advance ArticleDOI: 10.1039/D4DD00202D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Michael Moran, Michael W. Gaultois, Vladimir V. Gusev, Dmytro Antypov, Matthew J…