Theoretical and Computational Quantum Chemistry
Congratulations to Nisha for passing all examinations for her PhD thesis “Exploring the applicability of Density Functional Theory approximations”. Nisha has contributed in various areas and you can find a list of her successful publications here. Nisha is the 3rd student to graduate with a PhD from this group. Well done!
Goodbye to Dr Asim Najibi who recently left the group after finishing his PhD to take up a position with a Comp Chem company. All the best for your future, Asim.
Congratulations to Marcos for passing all examinations for his PhD thesis “Development and Assessment of new Time-Dependent Long-Range Corrected Double-Hybrid Density Functionals for Excited States”. His accurate TD-DFT methods can be used in ORCA5. Find a list of Marcos publications here. Marcos is the 2nd student to graduate with a PhD from this group. Well done!
Congratulations to Zahra’s first paper of her PhD in joint authorship with Jett Janetzki, Colette Boskovic and others.
This is a wonderful joint computational-experimental paper that presents an efficient strategy to predict transition temperatures in valence tautomers. The paper was published in Inorganic Chemistry and can be found here.
Congratulations to Asim Najibi for passing all examinations for his PhD thesis “Finding the Best Ingredients of Density Functional Approximations for Ground-state Molecular Chemistry”. The first PhD student from this group to complete, so it’s a very special moment. You can find a list of his contributions here.
You can read our latest contributions to our collaboration on multifunctional coordination polymers with the Abrahams group here.
Goodbye, Nisha, and all the best for your postdoc in the Martin group at the Weizmann Institute of Science in Rehovot, Israel. It’s been a great time with you and we will miss you. A list of Nisha’s PhD contributions can be found here: https://goerigk.chemistry.unimelb.edu.au/research-group/nisha-mehta-phd-student/
Goodbye to Marcos who will leave Australia tomorrow to soon commence his postdoc in the Neese group at the MPI for Coal Research in Mühlheim. It’s been a productive time and we’re glad to have had you on board over the past years. Marcos’ PhD papers on some of the most accurate and robust TD-DFT methods are listed here: goerigk.chemistry.unimelb.edu.au/research-group
We just published some of the most accurate TD-DFT methods for organic molecules in JCTC. Congratulations to Marcos on his final PhD and his first corresponding-author paper. Our new methods are available for free in the recently released ORCA5. The article can be found here.
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