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My research focuses on electronic structure theory – in particular, the development and application of theoretical methods. Of special interest is astrochemistry: spectroscopic support to astronomical observations, exploring the chemistry of the interstellar medium, and addressing fundamental questions about the origin of life.
As a postdoctoral researcher I have been working on several areas of research, which include:
(i) the evolution of complex organic molecules in the gas phase under astrophysical conditions.
(ii) calculation of highly accurate rovibrational spectra of small molecules of interest to astronomy and astrophysics.
(iii) high-accuracy thermochemistry.
(iv) development of a surface-walking algorithm for locating transition states along a reaction path (ALTRUISM).