PhD completion seminar
Asim Najibi successfully gave his PhD completion seminar. Congratulations!
Theoretical and Computational Quantum Chemistry
Asim Najibi successfully gave his PhD completion seminar. Congratulations!
Congratulations to Zahra (co-supervised with A/Prof. Colette Boskovic) for winning a poster award at the Asian Conference on Molecular Magnetism where she presented results of some of her exciting joint experimental-computational work.
Our free-access review on double-hybrids and TD-DFT for excited states is the most read article in the Australian Journal of Chemistry in the last 60 days: https://www.publish.csiro.au/ch#MostRead
Our free-access review on double-hybrids for excited states is the second most read article in the Australian Journal of Chemistry in the last 60 days: https://www.publish.csiro.au/ch#MostRead
Congratulations to Marcos on our first new publication in 2021. In a letter to the editor we correct an inadvertently given, incomplete account of previous developments and insights in the field of time‐dependent double‐hybrid density functionals given in a paper from 2020, and disprove the therein made claim that global double hybrids are able to describe charge‐transfer excitations. Instead, we show that the time-dependent range-separated double hybrids developed by Marcos in 2019 should be used to treat charge-transfer excitations more accurately. Our letter to the editor was published in the Journal of Computational Chemistry and can be found here.
Welcome to Joshua Van Dijk who joins our group over summer for his third-year research project.
Congratulations to Dale Lonsdale for having been awarded the award for the best student demonstrator in second year at this year’s School of Chemistry awards night.
Congrats to Asim Najibi on his newest paper in the Journal of Computational Chemistry. The paper presents DFT-D4 variants of the leading (ω)B97M/X class of functionals for energy and geometries. The latter can also be obtained quite accurately with our older DFT-D3 versions from 2018, as we show in this new paper. The article can be found here.
Number of posts found: 141