Collaborative article in JACS
We contributed to a recently published article in the Journal of the American Chemical Society. Under the leadership of Dr Chris Ritchie from the School of …
Congratulations to Asim for his first first-author paper
We recently published a new paper in The Journal of Physical Chemistry A that sheds light into a specific variation of double-hybrid density functionals, so-called orbital-optimised …
Lars Goerigk to attend Science at the Shine Dome
Lars Goerigk was chosen as one of two early- to mid-career researchers to attend Science at the Shine Dome 2018 sponsored by the Faculty of Science. …
Welcome to Amy Hancock, who joined our group from The University of Adelaide as a Masters of Science student. All the best for your studies, Amy.
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.
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. …
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 …
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 …
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 …
Welcome to Marcos
Welcome to Marcos Casanova Páez who joins us as a new PhD student from the University of Chile.
Number of posts found: 29