Melbourne Centre for Theoretical and Computational Chemistry
The University of Melbourne, VIC 3010
Room: 172 (Masson Building)
E-mail: anajibi AT student.unimelb.edu.au
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)
4. 12/2018 – Talk: “The Non-Local Kernel in van-der-Waals Density Functionals as an Additive Correction, Quantum and Computational Students Conference”, QUACCS 2018, Kioloa, Australia.
3. 09/2017 – Poster: “Is the Non-Local Kernel in van-der-Waals Density Functionals Sufficient as an Additive Correction?”, WATOC 2017, Munich, Germany.
2. 07/2017 – Poster: “Assessment of Orbital-Optimised Double-Hybrid Density Functionals and Second-Order Møller-Plesset Perturbation Theory Methods”, Royal Australian Chemical Institute Centenary Congress, Melbourne, Australia.
1. 12/2016 – Poster: “Assessment of Orbital-Optimised Double-Hybrid Density Functionals and Second-Order Møller-Plesset Perturbation Theory Methods”, Australian Symposium on Computational Chemistry 2016, Perth, Australia.