New collaborative paper

Dr Lars Goerigk has provided computational insights for a collaboration with colleagues from the School of Chemistry and the ARC Centre of Excellence in Exciton Science led by the Ghiggino group. The work entitled “The role of conformational heterogeneity in the excited state dynamics of linked diketopyrrolopyrrole dimers” has recently been published in Physical Chemistry Chemical Physics: https://pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp00541c#!divAbstract

Poster award for Zahra

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.

Nisha Mehta interviewed by Unacademy

On 28 February, Nisha Mehta gave a live interview with Unacademy, one of India’s largest online learning platforms.
Nisha talked about her journey on becoming a scientist before she answered student questions about her time here at the School of Chemistry.

New article on time-dependent double hybrids

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.

2020 Rennie Memorial Medal awarded to Lars Goerigk

Dr Lars Goerigk won a 2020 Rennie Memorial Medal, the highest national prize awarded to early career researchers by the Royal Australian Chemical Institute (RACI). With this award, the RACI recognises our contributions to the field of Density Functional Theory (DFT) which helped closing the gap between DFT developers and users, informed users on the currently best practice in the field, and included some of the currently best DFT methods for the treatment of excited-state problems.

Number of posts found: 162