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Margraf Group Members. Members of the Group. Dr. Johannes Margraf Group Leader +49 30 8413-4867 margraf@fhi.mpg.de. CV. Theory; Research Groups; Margraf Group;
A map of organic molecules, generated using unsupervised machine learning. Welcome to the website of the chemical machine learning group at the FHI theory department! We use machine learning (ML) to understand and predict chemical phenomena, such as the nature of complex reaction networks or the properties of new molecules and materials.
Johannes Margraf is an Editor at PeerJ. Bio: Johannes Margraf is a group leader at the theory department of the Fritz-Haber-Institute in Berlin. His group focuses on using and developing machine-learning and electronic structure methods to study chemical reactions and discover new functional materials.
Johannes Klicpera Shankari Giri Johannes T. Margraf Stephan Gunnemann. Chemistry, Computer Science. arXiv.org. 28 November 2020. TLDR. The DimeNet++ model is proposed, which is 8x faster and 10% more accurate than the original Dime net on the QM9 benchmark of equilibrium molecules, and ensembling and mean-variance estimation for uncertainty ...
Webmaster: Prof.Dr. Johannes Margraf Facebook Twitter Youtube-Kanal Instagram LinkedIn UBT-A Contact University of Bayreuth on social media Facebook Twitter Youtube-Kanal Instagram LinkedIn UBT-A Contact
Sehen Sie sich das Profil von Johannes Margraf auf LinkedIn an. Als weltweit größtes Business-Netzwerk hilft LinkedIn Menschen wie Johannes Margraf dabei, Kontakte zu finden, die mit empfohlenen Kandidaten, Branchenexperten und potenziellen Geschäftspartnern vernetzt sind.
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30 de oct. de 2020 · Fig. 1: Visualization of chemical reaction spaces as graphs with molecules as nodes and reactions as edges. a Full network of bond dissociation reactions for carbon-, oxygen-, hydrogen-containing ...
