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 and physics”. (link to book).
Our recent collaboration with the Ritchie group published in Angewandte Chemie, was also featured in the May issue of Chemistry Australia, the monthly magazine by the Royal Australian Chemical Institute (on page 16, “Six of one, ten of another”).
The School of Chemistry has awarded Domi Wappett the JS Anderson Prize, which is given to the student majoring in Chemistry who displays the greatest aptitude and potential for research.
Congratulations, Domi. Well done!
The Royal Australian Chemical Institute (RACI) awarded Dr Lars Goerigk the 2017 RACI Physical Chemistry Division Lectureship.
With this lectureship the Physical Chemistry Division of RACI allows outstanding early- and mid-career physical or theoretical chemists to tour Australia to present their research work. The lectureship will be officially awarded at the upcoming RACI Centenary Congress in Melbourne in July.
Welcome back to Dominique Wappett and Dale Lonsdale, who both rejoined my group as Masters students, as well as to Asim Najibi, who — after his successful First-Class Honours thesis — will embark on a new PhD project.
Our recent collaborative efforts with the Ritchie and O’Hair groups have been published in Angewandte Chemie.
We present a novel way of synthesising Mo-V polyanions, which had not been experimentally accessible before, by using microwaves. Our quantum-chemical calculations were important in understanding the resulting structures and their distribution.
English version in Angewandte Chemie International Edition: DOI: 10.1002/anie.201608589
German version in Angewandte Chemie: DOI: 10.1002/ange.201608589
Congrats to Asim Najibi for winning the poster prize at the Australian Symposium on Computational Chemistry in Perth.
Our benchmark study on inversion and racemization barriers is now available as Open Access. It is the first thorough QM benchmark study looking at these processes in detail. http://www.nrcresearchpress.com/doi/abs/10.1139/cjc-2016-0290
Contragulations to Asim Najibi for winning the Pawsey Supercomputing Centre Travel Award to attend the Australian Symposium on Computational Chemistry in Perth on 1-2 December 2016. The symposium will be held in honour of distinguished quantum chemists Prof. Leo Radom (The University of Sydney) and Prof. Jan Martin (Weizmann Institute of Science, Israel) and thanks to the award, Asim will have the opportunity to meet some of the best people in the field of Theoretical and Computational Quantum Chemistry.
Welcome to Ms Marina Jansen from the University of Münster, Germany, who joined us as a visiting student for the next couple of months.
Number of posts found: 16