Welcome to the Goerigk Research Group website. We are part of the Melbourne Centre for Theoretical and Computational Chemistry at the School of Chemistry, The University of Melbourne, Australia. Our research revolves around the exciting field of Quantum Chemistry, which is the description of electrons in chemical systems by evoking the laws of Quantum Mechanics. Our interests comprise both the development of new quantum-chemical methods, as well as applications to Organic-, Inorganic-, Physico- or Biochemical problems. We have established a range of national and international collaborations with experimental and other theoretical groups, and our research is supported by various local, national and international funding schemes. Please feel free to explore our website through the links provided in the right-hand sidebar (or at the bottom of the page, depending on your device).
- Left picture: GMTKN55: a database for general main-group thermochemistry, kinetics and noncovoalent interactions. Find the open-access GMTKN55 paper here. Access the GMTKN55 website here.
- Right picture: INV24: A test set for inversion barriers available as Open Access.
19 September 2018:
Our large study showing the superiority of semi-empirical over non-empirical double-hybrid DFT is now featured on PCCP’s front cover. Well done, Nisha and Marcos. The full article can be found here.