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Showing 1–7 of 7 results
Advanced filters: Author: Loïc M. Roch Clear advanced filters

  • The optical properties of nanographenes can be engineered by designing their size, shape, and edges. Here, the authors show that graphene quantum dots are single photon emitters at room temperature, and their emission wavelength can be controlled by edge functionalization.

    • Shen Zhao
    • Julien Lavie
    • Jean-Sébastien Lauret
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-5

  • Photon-induced charge separation phenomena are at the heart of light-harvesting applications but challenging to be described by quantum mechanical models. Here the authors illustrate the potential of machine-learning approaches towards understanding the fundamental processes governing electronic excitations.

    • Florian Häse
    • Loïc M. Roch
    • Alán Aspuru-Guzik
    ReviewsOpen Access
    Nature Communications
    Volume: 11, P: 1-11

  • An automated closed-loop system optimizes a stereoselective Suzuki-Miyaura reaction using a machine learning algorithm that incorporates unbiased and categorical process parameters.

    • Melodie Christensen
    • Lars P. E. Yunker
    • Jason E. Hein
    ResearchOpen Access
    Communications Chemistry
    Volume: 4, P: 1-12

  • The discovery and development of advanced materials are imperative for the clean energy sector. We envision that a closed-loop approach, which combines high-throughput computation, artificial intelligence and advanced robotics, will sizeably reduce the time to deployment and the costs associated with materials development.

    • Daniel P. Tabor
    • Loïc M. Roch
    • Alán Aspuru-Guzik
    Reviews
    Nature Reviews Materials
    Volume: 3, P: 5-20