Theoretical and Computational Quantum Chemistry
Goodbye to Tobias Loeff, who was a group member for 10 months as part of an exchange Masters program with the University of Edinburgh. His project was excellent and a paper will be written shortly. Congratulations on your Masters degree and all the best for your PhD in Oxford.
Welcome to Ariel Jones and Egidio Viegas.
Ariel is our latest PhD student. Se completed her undergraduate studies and her Honours degree at The University of Queensland, the latter with a computational chemistry project in the group of A/Prof. Elizabeth Krenske.
Egidio joined as a MSc student. He did his undergraduate studies at Methodist University in North Caroline, USA, and will be primarily supervised by Dr Marcus Giansiracusa.
Welcome to Melbourne and good luck for your projects!
Congratulations to PhD student Dale Lonsdale for publishing his latest article, which reveals how the selfinteraction error in DFT depends on geometry and the type of occupied orbital: https://aip.scitation.org/doi/10.1063/5.0129820
Welcome to Cooper Forster who joined us for six weeks as a third-year research student.
Dr Lars Goerigk has been promoted to Associate Professor, effective from 1 January 2023.
Congratulations to Zahra (co-supervised with Prof. Colette Boskovic) for winning the best poster prize at the 2nd Asian Conference on Molecular Magnetism in Bhopal, India.
Congratulations to Zahra (co-supervised with Prof. Colette Boskovic) for winning the prize for the best talk at the RACI VIC Inorganic Chemistry postgraduate symposium.
Dr Lars Goerigk is Co-Chief Investigator with Drs Sebastian Furness (University of Queensland, lead investigator) and Chris Ritchie (Monash University) on a successful 2023 Discovery Project funded for four years by the Australian Research Council. International partner investigators are Prof. Robert Prosser (University of Toronto) and Asst. Prof. Stpehane Aloise (University of Lille). Read the summary of this highly interdisciplinary project below:
Proteins perform almost every task that enables the amazing complexity of cellular and whole organism physiology. These molecular machines perform this incredible array of tasks due to their ability to dynamically change shape. For the vast majority of these machines, we can only view a snapshot of the possible shapes they can adopt and can’t monitor how they change from one shape to another, which is critical for their functioning. This project aims to develop and apply a completely new method to visualise dynamic changes in protein shape which is not possible with current techniques. This will allow us to provide a new description and understanding of the function of proteins, which is fundamental to all biology.
Dr Lars Goerigk has been awarded the 2022 Dean’s Award for Excellence in Research (Mid-Career) by the Faculty of Science, The University of Melbourne, for his developments in the area of time-dependent Density Functional Theory.
Last Friday, the M^4 Meeting (Melbourne Meeting for Molecular Modellers) was held for the first time since 2014. The meeting attracted about 70 participants from universities and research institutes around Melbourne and Geelong and was a great success for some of our students who took home three of the four student prizes. Congratulations to:
Well done, everyone!
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