• lgoerigk

  1. We made it into PCCP’s 2017 HOT article collection

    GMTKN55 and our look at the DFT zoo made it into PCCP’s 2017 HOT articles collection. The open-access article can be found here.

    goerigk.chemistry.unimelb.edu.au/2018/02/02/we-made-it-into-pccps-2017-hot-article-collection

  2. PCCP front cover

    Our new GMTKN55 database, which we used in one of the largest DFT benchmark studies ever published, is featured on the latest front cover of PCCP. …

    goerigk.chemistry.unimelb.edu.au/2017/12/14/pccp-front-cover

  3. Successful ARC Discovery Project bid

    We are grateful to the Australian Research Council (ARC) for supporting our Discovery Project 2018 bid that lists A/Prof. Brendan Abrahams, Prof. Richard Dobson, and Dr …

    goerigk.chemistry.unimelb.edu.au/2017/11/30/successful-arc-discovery-project-bid

  4. New article in Organic & Biomolecular Chemistry

    Our experimental-computational collaboration on “Structure–reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime” was recently published in Organic & Biomolecular Chemistry. This study was carried …

    goerigk.chemistry.unimelb.edu.au/2017/11/27/new-article-in-organic-biomolecular-chemistry

  5. The new GMTKN55 database and one of the largest DFT benchmark studies

    We are proud to announce publication of our new GMTKN55 database for general main-group thermochemistry, kinetics and non-covalent interations, which we used to assess nearly 220 …

    goerigk.chemistry.unimelb.edu.au/2017/11/08/the-new-gmtkn55-database-and-one-of-the-largest-dft-benchmark-studies

  6. Welcome to Marcos

    Welcome to Marcos Casanova Páez who joins us as a new PhD student from the University of Chile.

    goerigk.chemistry.unimelb.edu.au/2017/10/16/welcome-to-marcos

  7. Welcome to Nisha

    Welcome to Ms Nisha Mehta who joins our group as a PhD student as part of the Melbourne-India Postgraduate Program between The University of Melbourne and …

    goerigk.chemistry.unimelb.edu.au/2017/09/18/welcome-to-nisha

  8. Improved methods for electronic excitation energies

    The results of our collaboration with Tobias Schwabe from the University of Hamburg, Germany, have been published. We present improved versions of time-dependent double-hybrid density functionals …

    goerigk.chemistry.unimelb.edu.au/2017/08/02/improved-methods-for-electronic-excitation-energies

  9. Transparency matters: new collaborative article in Angewandte Chemie

    In our transition towards a more carbon neutral environment, the development of aesthetically acceptable building materials capable of passively collecting solar energy is highly desirable. One …

    goerigk.chemistry.unimelb.edu.au/2017/07/31/transparency-matters-new-collaborative-article-in-angewandte-chemie

  10. New book chapter on dispersion corrected DFT

    Our new book chapter on the popular DFT-D3 dispersion correction is out. It forms part of an exciting new book on “Non-covalent interactions in quantum chemistry …

    goerigk.chemistry.unimelb.edu.au/2017/06/26/new-book-chapter-on-dispersion-corrected-dft

Number of posts found: 155