DR Lars Goerigk

DR Lars Goerigk


  • - Applications in computational organic and inorganic chemistry (computational chemistry)
  • - Development of new quantum-chemical methods, in particular in the field of density functional theory (e.g. double-hybrid density functionals)
  • - The accurate treatment of London-dispersion effects (van-der-Waals forces) in noncovalently bound systems and in general thermochemical problems
  • - The development of thermochemical benchmarks to evaluate quantum-chemical methods (QM method evaluation, thermochemistry, benchmarking)
  • - The efficient quantum-chemical treatment of biomolecular systems and quantum-refinement of biomolecular X-ray structures
  • - The treatment of electronic excited states of organic dyes
  • - Theoretical electronic circular dichroism spectroscopy



  • Lars Goerigk is a lecturer at the School of Chemistry at The University of Melbourne. In 2011, he obtained his PhD in the group of Prof. Stefan Grimme at the University of Münster, Germany. He then relocated to The University of Sydney on a postdoctoral scholarship funded by the Germany Academy of Sciences “Leopoldina”, where he worked in the group of Prof. Jeffrey R. Reimers and also established a successful collaboration with Prof. Leo Radom. In 2014, Lars joined the School of Chemistry at The University of Melbourne as an ARC DECRA Fellow, where he transitioned to a continuing role as a lecturer in June 2016.

    Lars’ area of expertise is Theoretical and Computational Quantum Chemistry with special emphasis on density functional theory (DFT) method development, the treatment of electronic excited states, and applications to bio-, inorganic- and organic-chemical problems. He has made decisive contributions towards the development of one of the most accurate density functionals currently available (PWPB95), and his work also contributed towards a better understanding of the role of London-dispersion (van-der-Waals forces) in chemical reactions and molecular structures. One of his research passions is to close the gap between method developers and method users by promoting a better understanding of DFT methods, of what they can and — more importantly — of what they cannot achieve.

    Lars' work has been acknowledged with several awards, including the 2011 IBM-Zerner Award, the 2014 ARC Discovery Early Career Researcher Award, the 2014 Selby Award and the 2017 RACI Physical Chemistry Division Lectureship.   


Member of

  • Royal Australian Chemical Institute. Member of the Royal Australian Chemical Institute 2011 -
  • Arbeitsgemeinschaft Theoretische Chemie. German Society of Theoretical Chemists (part of the German Bunsen Society) 2010 -
  • German Bunsen Society for Physical Chemistry. Member of the German Bunsen Society for Physical Chemistry 2005 -


Selected publications


Investigator on


Education and training

  • Dr. rer. nat. (PhD), University of Münster 2011
  • Dipl.-Chem., University of Münster 2008

Awards and honors

  • Faculty of Science, The University of Melbourne, 2018
  • 2017 RACI Physical Chemistry Division Lectureship, Royal Australian Chemical Institute, 2017
  • 2014 Selby Researcher Award, Selby Scientific Foundation, 2014
  • Prize for the best Academic-staff poster, RACI PhysChem Student Conference 2012, RACI PhysChem Division, 2012
  • Prize for the best Phd thesis 2011, University of Muenster, Germany, 2012
  • Postdoctoral research scholarship, German National Academy of Sciences "Leopoldina", 2012
  • IBM Zerner Award, University of Florida, USA, 2011
  • PhD scholarship, German Funds of the Chemical Industry ("Fonds der chemischen Industrie"), 2008
  • PhD scholarship, Graduate School of Chemistry Northrhine-Westphalia, 2008



Available for supervision

  • Y