Asim Najibi

PhD student

Melbourne Centre for Theoretical and Computational Chemistry

School of Chemistry

The University of Melbourne, VIC 3010


Room: 172 (Masson Building)

E-mail: anajibi AT



2017 – present: PhD student, School of Chemistry, The University of Melbourne, Australia

2013 – 2016: Bachelor of Science (Honours), The University of Melbourne, Australia



2017: Melbourne Research Scholarship, The University of Melbourne, Australia

12/2016: Australian Symposium on Computational Chemistry Poster Award 2016

12/2016: Pawsey Supercomputing Centre Travel Award

2015-2016: Australian National University Summer Research Scholarship



3. A. Najibi, L. Goerigk, “The non-local kernel in van-der-Waals density functionals as an additive correction — an extensive analysis with special emphasis on the B97M-V and ωB97M-V approaches“, Journal of Chemical Theory and Computation  2018,14, 5725-5738. DOI: 10.1021/acs.jctc.8b00842

2. A. Najibi, L. Goerigk, “A comprehensive assessment of the effectiveness of orbital optimization in double-hybrid density functionals in the treatment of thermochemistry, kinetics, and noncovalent interactions“, The Journal of Physical Chemistry A 2018, 122, 5610-5624. DOI: 10.1021/acs.jpca.8b04058

1. L. Goerigk, A. Hansen, C. Bauer, S. Ehrlich, A. Najibi, S. Grimme, “A look at the Density Functional Theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions”, Physical Chemistry Chemical Physics 2017, 19, 32184-32215. DOI: 10.1039/C7CP04913G (Open Access; cover article)