Theoretical and Computational Quantum Chemistry
Congratulations, Haseena, on the first paper of her PhD, which just got published in Inorganic Chemistry and is a joint computational-experimental study led by Prof. Colette Boskovic and in collaboration with Dr Marcus Giansiracusa. The paper is called “Cobalt Complexes with Aminophenolate Ligands: Spin Crossover and Ligand Versatility” and can be accessed here.
Congratulations to Quyen for winning one of the poster prizes at this year’s Melbourne Meeting of Molecular Modellers.
We’re happy to have contributed to this collaborative paper led by the Ritchie group at Monash University:
“Fluorescence modulation of pyridinium betaines: a mechanofluorochromic investigation”, Journal of Materials Chemistry C 2024, published online. DOI: 10.1039/D4TC04290E
Congratulations, Dale, on successfully completing all the requirements for the PhD for your thesis entitled: “The one-electron self-interaction error in density functional theory: investigations toward an empirical correction”.
We are excited that we could contribute computationally to this publication in Nature Communications:
S. Moggach, A. Summers, Z. Zahir, M. Hay, G. Turner, A. Riboldi-Tunnicliffe, R. Williamson , S. Boer, L. Goerigk, C. Boskovic, “Putting the Squeeze on Valence Tautomerism in Cobalt-Dioxolene Complexes” Nature Communications 2024, 15, 8922. DOI: 10.1038/s41467-024-53311-4 (open access)
Congratulations to those group members who won awards at the 2024 Graduate Researcher Conference here at the School of Chemistry:
Congratulations to Ariel Jones who published her first paper, which deals with establishing an understanding of how time-dependent DFT methods deal with noncovalent interactions in excited states. The article got published in PCCP’s 25th anniversary special issue: https://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp03214d
Congratulations to Ariel to be one of 3 winners of the 2024 Encouragement Award by ATA Scientific Instruments: https://www.atascientific.com.au/awards-events-training/previous-award-winners/
Welcome to Benjamin Heath, who started his 3rd-year research project with us recently.
Welcome to Quyen Nguyen who will stay with us for the next 12 months as part of her joint PhD between The University of Melbourne and KU Leuven, Belgium. Quyen works on a collaborative project and is formally a member of our group here in Melbourne and Thomas Jagau’s group in Leuven.
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