Faculty of Science School of Botany

Dr Natalie Gilka


Botany Building 122; Rm 301
Phone +61 3 9035 4688



ARC CoE in Plant Cell Walls


GnuPG Key

Research Interests

My own research background lies in theoretical/computational chemistry and mathematics, which I combine with a continuing curiosity and interest in science in general and research projects in different fields in particular. I have furthermore maintained throughout my life a particular interest in computational aspects and the development and application of computational methods in research.

In my position as Computational Biologist in the ARC Centre of Excellence in Plant Cell Walls I am leading and driving the development of a complex, multiscale computational model of plant cell walls. On the computational side I am working closely with the IBM Research Collaboratory for Life Sciences (Melbourne), while at the same time providing in my role the interface to plant cell biologists.

One of the most important strengths in this project lies in the close interdisciplinary collaboration of computational and experimental researchers. In our team, we combine the skill and experience of the IBM Research Collaboratory with the molecular, biological and cell biology expertise present within the Centre which places us in the ideal position to ultimately develop a model of distinguishing scale and complexity.


Research Groups

ARC Centre of Excellence in Plant Cell Walls:

Operations Research, Department of Mathematics and Statistics (Honorary):



Gilka N, Solovej JP, Taylor PR (2011). Behavior of the Hartree-Fock energy at short internuclear distances. Int. J. Quantum Chem. 111(13), 3324-3328.

Gilka N (2010). Bounds on diatomic molecules in a relativistic model.  J. Math. Phys. 51(3), 032303-1-032303-13.

Ganyushin D, Gilka N, Taylor PR, Marian CM, Neese F (2010). The resolution of the identity approximation for calculations of spin-spin-contribution to zero-field splitting parameters. J. Chem. Phys. 132(14), 144111-1-144111-11.

Marian CM, Gilka N (2008). Performance of the density functional theory/multireference configuration interaction method on electronic excitation of extended π-Systems. J. Chem. Theory Comput. 4(9), 1501-1515.

Gilka N, Taylor PR, Marian CM (2008). Electron spin-spin coupling from multireference CI wave functions. J. Chem. Phys. 129(4), 044102-1-044102-19.

Gilka N, Tatchen J, Marian CM (2008). The g-tensor of AlO: principal problems and first approaches. Chem. Phys. 343(2-3), 258-269.

Tatchen J, Gilka N, Marian CM (2007). Intersystem crossing driven by vibronic spin-orbit coupling: a case study on psoralen. Phys. Chem. Chem. Phys. 9(38), 5209-5221.

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