Audrius Alkauskas, working at the University of Basel in the group of Professor Alexis Baratoff and Professor Christoph Bruder
1.What is the topic of your PhD thesis?
So far the official name of my thesis is not clear. It will most probably be called "Theoretical modelling
of atoms and molecules on noble metals surfaces", but the name is rather general, I admit. In practice, I
perform DFT (Density Functional Theory) calculations with well-tested codes (CPMD and ABINIT) and do some
C-programming myself. I am especially happy about collaborating with experimentalists, which makes my work
very interesting..
2. Do you already have results?
Yes, some. I had to learn a lot, and finally in this year I hope to produce something of higher quality.
So far I finished one technical paper about effective core potentials, gained some experience in DFT by
performing calculations of a simple adsorbate-substrate system, and now I will finally switch to the
modelling organic-inorganic interfaces.
3. Is there a potential application of your research?
I model real systems, and, I am happy if I can
explain the experimental findings. Predicting things that can be useful is a business of the best
theoreticians, not newcomers like myself. But perhaps in the future...
4. Why are you interested in nanoscale science?
"Every generation has its own disease" - one German rock band used to sing. This is true - nanoscience is
the kind of science that did not exist 30 years ago. It's something where one can apply existing theories
to new phenomena. This is the disease – in the positive sense - of my generation of physicists, as well as
my own.
5. What are your plans for the future?
Actually, I want to become an expert in nanoscale material science. I want to learn density functional
theory and molecular mechanics better, and apply their results to the modeling of thermodynamics of
different systems, be it a nanostructured catalyst of some important organic reaction, complex material
with an unusual phase transition or a molecular machine on the solid surface. As my working place, after
finishing my PhD (that's my hope) and after several years as a post-doc in some Scandinavian country
(that's my wish), I want to return to Vilnius University, Lithuania, and establish a group of
computational material science (that's my dream).
6. What are your interests outside research?
Singing, playing guitar, writing short essays and reading books. Also, communicating with other
people, but that's not an interest, that's a need.