Goodbye, Asim.
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.
The Goerigk Research Group
Theoretical and Computational Quantum Chemistry
Congratulations to Marcos
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!
New paper on predicting transition temperatures between valence tautomers
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
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.
New collaborative paper
You can read our latest contributions to our collaboration on multifunctional coordination polymers with the Abrahams group here.
Goodbye, Nisha
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, Marcos
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
Some of the most accurate TD-DFT methods
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.
Goodbye, Josh
Goodbye, Joshua Van Dijk, who joined our group for a 6-week 3rd-year project in January before staying on as a research assistant. All the best for your new job.
New paper for Nisha Mehta
Congratulations to Nisha Mehta for publishing the final paper of her PhD. It deals with using double hybrid DFT for small basis sets and can be accessed for free from the publisher.
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