Goerigk Group end of year celebrations + celebrating Dale Lonsdale's PhD...with special guest Dr Domi Wappett who had arrived from the US earlier that day for her graduation tomorrow.

Yesterday I got to present my research at the lovely Burlington House Royal Society of Chemistry in London for their Faraday community poster symposium. A fascinating day!

Pleased to have contributed to this work led by Chris Ritchie pubs.rsc.org/en/content/art…

A proud moment to celebrate this achievement as a PhD mom #WomenInSTEM.. Massive thanks to my supervisors Prof Colette Boskovic and Lars Goerigk, loving mom and dad my family and friends. You all made this journey incredible.

Congratulations to Ha-Quyen Nguyen, co-supervised with Thomas Jagau in Leuven, for winning one of the poster prizes at this year's Melbourne Meeting of Molecular Modellers. #ozchem #compchem

Happy New Year, everyone. My new coffee mug for work does NOT mean that I’ll be working from home all year 🤪

Chemist Martin Karplus dies at 94: Nobel laureate developed first molecular dynamics simulation of a biomolecule. He derived the Karplus Equation which relates #nmr coupling constants & molecular bond angles. In 2022 he was made a Biophysical Society fellow. cen.acs.org/people/obituar…

Amazing work from Professor Evan Bieske and his team linkedin.com/posts/universi…

Job opportunity - my department has an open position in medicinal chemistry. Join us and be my colleague! Apply using the link below. careers.adelaide.edu.au/cw/en/job/5155…

#compchem Good read: Good Practices in Database Generation for Benchmarking Density Functional Theory doi.org/10.1002/wcms.1…

Congratulations, Haseena, on this joint experimental-computational study. #ozchem #compchem

Awardees of the IUPAC 2025 Distinguished Women in Chemistry or Chemical Engineering #WomenInScience #chemistry iupac.org/awardees-of-th…

My response to the transphobic flyer the Australian “Christian” Lobby placed in Brunswick letter boxes today. 🤮

APATCC-11 in Kobe was great. Our research was presented in 2 talks and 3 posters, including Quyen’s first talk at a big conference. Can’t wait for APATCC-12 in Chiang Mai in 2027

Microsoft researchers achieved a breakthrough in the accuracy of DFT, a method for predicting the properties of molecules and materials, by using deep learning. This work can lead to better batteries, green fertilizers, precision drug discovery, and more. msft.it/6011SQwKX

And thus ends an amazing #watoc2025 in beautiful Oslo. 6 great days full of wonderful advances and applications in Theoretical and Computational Chemistry. Can’t wait for #watoc2028 in Mérida, Mexico.

An amazing byproduct of going to WATOC2025 is to be able to attend Oslo Pride the next day.

A solution to the TD-DFT overestimation problem for electronic excitation energies in BODIPYs (incl. predictions and exp. verification). Our new paper is out now: pubs.rsc.org/en/content/art…

Hello from the LEGO shop in Copenhagen. I found myself a recreational activity for my office for when I’m back

Congratulations to Ariel Jones who won one of the prizes for the best talk at the Australian Winter School in Computational Chemistry in Kiama, NSW.